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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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1 – 15 of 2,187 results
1

Cyrene, TRC

CAS: 53716-82-8 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 Synonym: (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone IUPAC Name: (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one SMILES: O=C1CC[C@H]2CO[C@@H]1O2

CAS 53716-82-8
Molecular Weight (g/mol) 128.13
SMILES O=C1CC[C@H]2CO[C@@H]1O2
Synonym (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone
IUPAC Name (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one
Molecular Formula C6H8O3
2

Clozapine, TRC

CAS: 5786-21-0 Molecular Formula: C18 H19 Cl N4 Molecular Weight (g/mol): 326.82 Synonym: 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-,8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Apo-Clozapine,Asaleptin,Azaleptin,Azaleptine,Cloril,Clozapex,Clozapin,Clozapine,Clozaril,Fazaclo,HF 1854,Iprox,Klozapol,Leponex,Sizopin IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine SMILES: CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24

CAS 5786-21-0
Molecular Weight (g/mol) 326.82
SMILES CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24
Synonym 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-,8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Apo-Clozapine,Asaleptin,Azaleptin,Azaleptine,Cloril,Clozapex,Clozapin,Clozapine,Clozaril,Fazaclo,HF 1854,Iprox,Klozapol,Leponex,Sizopin
IUPAC Name 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Formula C18 H19 Cl N4
3

Paraldehyde, TRC

CAS: 123-63-7 Molecular Formula: C6 H12 O3 Molecular Weight (g/mol): 132.16 Synonym: Paraldehyde,2,4,6-Trimethyl-1,3,5-trioxane,cyclic trimer of acetaldehyde IUPAC Name: 2,4,6-trimethyl-1,3,5-trioxane SMILES: CC1OC(C)OC(C)O1

CAS 123-63-7
Molecular Weight (g/mol) 132.16
SMILES CC1OC(C)OC(C)O1
Synonym Paraldehyde,2,4,6-Trimethyl-1,3,5-trioxane,cyclic trimer of acetaldehyde
IUPAC Name 2,4,6-trimethyl-1,3,5-trioxane
Molecular Formula C6 H12 O3
4

Clothianidin, TRC

CAS: 210880-92-5 Molecular Formula: C6 H8 Cl N5 O2 S Molecular Weight (g/mol): 249.68 Synonym: [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N' '-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine,Apacz,Arena,Belay,Celero,Clothianidin,Clutch,Clutch (insecticide),Dantop,Dantotsu,Dantotsu 16WSG,Fullswing,NipsIt,NipsIt Inside,Nipsit Inside Insecticide,Poncho,Poncho 250,Poncho 600,TI 435,TM 44401,Takeloc CLMN 10,Takeloc MC 50 Super,Takeloc MC 50E,Takelock MC 50 super,Titan ST,V 10170 IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine SMILES: CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1

CAS 210880-92-5
Molecular Weight (g/mol) 249.68
SMILES CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1
Synonym [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N' '-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine,Apacz,Arena,Belay,Celero,Clothianidin,Clutch,Clutch (insecticide),Dantop,Dantotsu,Dantotsu 16WSG,Fullswing,NipsIt,NipsIt Inside,Nipsit Inside Insecticide,Poncho,Poncho 250,Poncho 600,TI 435,TM 44401,Takeloc CLMN 10,Takeloc MC 50 Super,Takeloc MC 50E,Takelock MC 50 super,Titan ST,V 10170
IUPAC Name 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
Molecular Formula C6 H8 Cl N5 O2 S
5

Trametinib, TRC

CAS: 871700-17-3 Molecular Formula: C26 H23 F I N5 O4 Molecular Weight (g/mol): 615.39 Synonym: Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide SMILES: CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C

CAS 871700-17-3
Molecular Weight (g/mol) 615.39
SMILES CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C
Synonym Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A
IUPAC Name N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
Molecular Formula C26 H23 F I N5 O4
6

Norchlorprothixene, TRC

CAS: 51382-91-3 Molecular Formula: C17H16ClNS Molecular Weight (g/mol): 301.83 Synonym: 9H-Thioxanthene, 1-Propanamine Deriv.,Demethylchlorprothixene,N-Monodemethylchlorprothixene,(Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N-methyl-1-propanamine,(3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N-methyl-1-propanamine IUPAC Name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N-methylpropan-1-amine SMILES: CNCC\C=C/1\c2ccccc2Sc3ccc(Cl)cc13

CAS 51382-91-3
Molecular Weight (g/mol) 301.83
SMILES CNCC\C=C/1\c2ccccc2Sc3ccc(Cl)cc13
Synonym 9H-Thioxanthene, 1-Propanamine Deriv.,Demethylchlorprothixene,N-Monodemethylchlorprothixene,(Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N-methyl-1-propanamine,(3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N-methyl-1-propanamine
IUPAC Name (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N-methylpropan-1-amine
Molecular Formula C17H16ClNS
7

Pelitinib, TRC

CAS: 257933-82-7 Molecular Formula: C24 H23 Cl F N5 O2 Molecular Weight (g/mol): 467.92 IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CAS 257933-82-7
Molecular Weight (g/mol) 467.92
SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
IUPAC Name (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Formula C24 H23 Cl F N5 O2
8

Poziotinib, TRC

CAS: 1092364-38-9 Molecular Formula: C23H21Cl2FN4O3 Molecular Weight (g/mol): 491.34 Synonym: 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one,1-[4-[4-(3,4-Dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one IUPAC Name: 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one SMILES: COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C

CAS 1092364-38-9
Molecular Weight (g/mol) 491.34
SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C
Synonym 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one,1-[4-[4-(3,4-Dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
IUPAC Name 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
Molecular Formula C23H21Cl2FN4O3
9

Dimethoxane, TRC

CAS: 828-00-2 Molecular Formula: C8 H14 O4 Molecular Weight (g/mol): 174.19 Synonym: 1,3-Dioxan-4-ol, 2,6-dimethyl-, acetate (9CI),m-Dioxan-4-ol, 2,6-dimethyl-, acetate (7CI,8CI),2,4-Dimethyl-6-acetoxy-1,3-dioxane,2,4-Dimethyl-6-m-dioxanyl acetate,2,6-Dimethyl-m-dioxan-4-ol acetate,2,6-Dimethyl-m-dioxan-4-yl acetate,6-Acetoxy-2,4-dimethyl-1,3-dioxane,6-Acetoxy-2,4-dimethyl-m-dioxane,6-Acetoxy-2,4-dimethyl-m-dioxane,Acetomethoxane,Bioban DXN,Dimethoxane,Dioxin,Dioxin (bactericide),Dioxin CO,Giv Gard DXN,Giv Gard DXN-CO IUPAC Name: (2,6-dimethyl-1,3-dioxan-4-yl) acetate SMILES: CC1CC(OC(=O)C)OC(C)O1

CAS 828-00-2
Molecular Weight (g/mol) 174.19
SMILES CC1CC(OC(=O)C)OC(C)O1
Synonym 1,3-Dioxan-4-ol, 2,6-dimethyl-, acetate (9CI),m-Dioxan-4-ol, 2,6-dimethyl-, acetate (7CI,8CI),2,4-Dimethyl-6-acetoxy-1,3-dioxane,2,4-Dimethyl-6-m-dioxanyl acetate,2,6-Dimethyl-m-dioxan-4-ol acetate,2,6-Dimethyl-m-dioxan-4-yl acetate,6-Acetoxy-2,4-dimethyl-1,3-dioxane,6-Acetoxy-2,4-dimethyl-m-dioxane,6-Acetoxy-2,4-dimethyl-m-dioxane,Acetomethoxane,Bioban DXN,Dimethoxane,Dioxin,Dioxin (bactericide),Dioxin CO,Giv Gard DXN,Giv Gard DXN-CO
IUPAC Name (2,6-dimethyl-1,3-dioxan-4-yl) acetate
Molecular Formula C8 H14 O4
10

Decaglycerin, TRC

CAS: 9041-07-0 Molecular Formula: C30H62O21 Molecular Weight (g/mol): 758.8 Synonym: Decaglycerol-Desmodur N100-Sorbitan Tristearate Copolymer,Great Oil DE 1 SMILES: C(C(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O)O

CAS 9041-07-0
Molecular Weight (g/mol) 758.8
SMILES C(C(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O)O
Synonym Decaglycerol-Desmodur N100-Sorbitan Tristearate Copolymer,Great Oil DE 1
Molecular Formula C30H62O21
11

Olopatadine, TRC

CAS: 113806-05-6 Molecular Formula: C21H23NO3 Molecular Weight (g/mol): 337.41 Synonym: (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,11-[(Z)-3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,Opatanol,Pataday,Patanol IUPAC Name: 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid SMILES: CN(C)CC\C=C/1\c2ccccc2COc3ccc(CC(=O)O)cc13

CAS 113806-05-6
Molecular Weight (g/mol) 337.41
SMILES CN(C)CC\C=C/1\c2ccccc2COc3ccc(CC(=O)O)cc13
Synonym (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,11-[(Z)-3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,Opatanol,Pataday,Patanol
IUPAC Name 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Molecular Formula C21H23NO3
12

Ethiprole, TRC

CAS: 181587-01-9 Molecular Formula: C13 H9 Cl2 F3 N4 O S Molecular Weight (g/mol): 397.2 Synonym: 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile,Ethiprole,Kirappu,RPA 107382 IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile SMILES: CCS(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F

CAS 181587-01-9
Molecular Weight (g/mol) 397.2
SMILES CCS(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F
Synonym 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile,Ethiprole,Kirappu,RPA 107382
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile
Molecular Formula C13 H9 Cl2 F3 N4 O S
13

(+)-Nebivolol, TRC

CAS: 118457-15-1 Molecular Formula: C22 H25 F2 N O4 Molecular Weight (g/mol): 405.44 Synonym: (αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol,2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[R*(S*)]]]]-,(+)-Nebivolol,(S,R,R,R)-Nebivolol,(αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol],Dexnebivolol,R 67138,d-Nebivolol IUPAC Name: (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol SMILES: O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3

CAS 118457-15-1
Molecular Weight (g/mol) 405.44
SMILES O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3
Synonym (αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol,2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[R*(S*)]]]]-,(+)-Nebivolol,(S,R,R,R)-Nebivolol,(αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol],Dexnebivolol,R 67138,d-Nebivolol
IUPAC Name (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
Molecular Formula C22 H25 F2 N O4
14

Thiane, TRC

CAS: 1613-51-0 Molecular Formula: C5H10S Molecular Weight (g/mol): 102.2 Synonym: NSC 9459,Pentamethylene Sulfide,Penthiophane,Tetrahydro-2H-thiopyran,Tetrahydrothiapyran,Tetrahydrothiopyran,Thiacyclohexane IUPAC Name: thiane SMILES: C1CCSCC1

CAS 1613-51-0
Molecular Weight (g/mol) 102.2
SMILES C1CCSCC1
Synonym NSC 9459,Pentamethylene Sulfide,Penthiophane,Tetrahydro-2H-thiopyran,Tetrahydrothiapyran,Tetrahydrothiopyran,Thiacyclohexane
IUPAC Name thiane
Molecular Formula C5H10S
15

Pinacolborane, TRC

CAS: 25015-63-8 Molecular Formula: C6H13BO2 Molecular Weight (g/mol): 127.98 Synonym: 4,4,5,5-Tetramethyl-1,3,2-dioxaborolane,4,4,5,5-Tetramethyl-1,3,2-dioxaborolane,Pinacolatoborane IUPAC Name: 4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OBOC1(C)C

CAS 25015-63-8
Molecular Weight (g/mol) 127.98
SMILES CC1(C)OBOC1(C)C
Synonym 4,4,5,5-Tetramethyl-1,3,2-dioxaborolane,4,4,5,5-Tetramethyl-1,3,2-dioxaborolane,Pinacolatoborane
IUPAC Name 4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular Formula C6H13BO2