Friday, January 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-[(2-acetylphenoxy)methyl]-N,N-dimethyl-benzenesulfonamide
CAS Name: 3-[(2-acetylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
IUPAC NAME: 3-[(2-acetylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
SYSTEMATIC NAME: 3-[(2-ethanoylphenoxy)methyl]-N,N-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C17H19NO4S
MOLECULAR WEIGHT: 333.40206
SMILES: CC(=O)C1=CC=CC=C1OCC2=CC(=CC=C2)S(=O)(=O)N(C)C
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Product OPENEYE NAME: methyl 4-(1-methyl-2-morpholino-2-oxo-ethoxy)benzoate
CAS Name: 4-[1-(4-morpholinyl)-1-oxopropan-2-yl]oxybenzoic acid methyl ester
IUPAC NAME: methyl 4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoate
SYSTEMATIC NAME: methyl 4-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)oxybenzoate
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: 1-allyl-2-(2-methylsulfonylethylsulfanyl)benzimidazole
CAS Name: 2-(2-methylsulfonylethylthio)-1-prop-2-enylbenzimidazole
IUPAC NAME: 2-(2-methylsulfonylethylsulfanyl)-1-prop-2-enylbenzimidazole
SYSTEMATIC NAME: 2-(2-methylsulfonylethylsulfanyl)-1-prop-2-enyl-benzimidazole
MOLECULAR FORMULA: C13H16N2O2S2
MOLECULAR WEIGHT: 296.40834
SMILES: CS(=O)(=O)CCSC1=NC2=CC=CC=C2N1CC=C
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Product OPENEYE NAME: 5-(2-methylsulfonylethylsulfanyl)-N-(m-tolyl)-1,3,4-thiadiazol-2-amine
CAS Name: N-(3-methylphenyl)-5-(2-methylsulfonylethylthio)-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-(3-methylphenyl)-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-(3-methylphenyl)-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C12H15N3O2S3
MOLECULAR WEIGHT: 329.4614
SMILES: CC1=CC(=CC=C1)NC2=NN=C(S2)SCCS(=O)(=O)C
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Product OPENEYE NAME: 4-methyl-3-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
CAS Name: 4-methyl-3-(2-methylsulfonylethylthio)-1,2,4-triazole
IUPAC NAME: 4-methyl-3-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
SYSTEMATIC NAME: 4-methyl-3-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
MOLECULAR FORMULA: C6H11N3O2S2
MOLECULAR WEIGHT: 221.30044
SMILES: CN1C=NN=C1SCCS(=O)(=O)C
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Product OPENEYE NAME: 6,8-dichloro-3-(2-methylsulfonylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CAS Name: 6,8-dichloro-3-(2-methylsulfonylethylthio)-[1,2,4]triazolo[4,3-a]pyridine
IUPAC NAME: 6,8-dichloro-3-(2-methylsulfonylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SYSTEMATIC NAME: 6,8-bis(chloranyl)-3-(2-methylsulfonylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
MOLECULAR FORMULA: C9H9Cl2N3O2S2
MOLECULAR WEIGHT: 326.22266
SMILES: CS(=O)(=O)CCSC1=NN=C2N1C=C(C=C2Cl)Cl
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Product OPENEYE NAME: N-[2-(1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)-1-pyrazolyl]acetamide
IUPAC NAME: N-[2-(1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SYSTEMATIC NAME: N-[2-(1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide
MOLECULAR FORMULA: C16H15F3N4O
MOLECULAR WEIGHT: 336.31171
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CN3C=CC(=N3)C(F)(F)F
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Product OPENEYE NAME: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-phenyl-butanamide
CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-oxo-4-phenylbutanamide
IUPAC NAME: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-phenylbutanamide
SYSTEMATIC NAME: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-phenyl-butanamide
MOLECULAR FORMULA: C14H15N3O2S2
MOLECULAR WEIGHT: 321.4178
SMILES: CCSC1=NN=C(S1)NC(=O)CCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-(6-methoxy-3-pyridyl)-1-methyl-pyrrole-2-carboxamide
CAS Name: N-(6-methoxy-3-pyridinyl)-1-methyl-2-pyrrolecarboxamide
IUPAC NAME: N-(6-methoxypyridin-3-yl)-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-(6-methoxypyridin-3-yl)-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CN1C=CC=C1C(=O)NC2=CN=C(C=C2)OC
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Product OPENEYE NAME: N-(6-methoxy-3-pyridyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: N-(6-methoxy-3-pyridinyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: N-(6-methoxypyridin-3-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: N-(6-methoxypyridin-3-yl)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
MOLECULAR FORMULA: C14H17N3O3S
MOLECULAR WEIGHT: 307.36808
SMILES: CC12CCC(=O)N1C(CS2)C(=O)NC3=CN=C(C=C3)OC
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Product OPENEYE NAME: N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide
IUPAC NAME: N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanamide
MOLECULAR FORMULA: C18H16ClNO3
MOLECULAR WEIGHT: 329.77754
SMILES: C1=CC=C2C(=C1)C(OC2=O)CC(=O)NCCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CAS Name: N-(3-phenylpropyl)-1-cyclohex-3-enecarboxamide
IUPAC NAME: N-(3-phenylpropyl)cyclohex-3-ene-1-carboxamide
SYSTEMATIC NAME: N-(3-phenylpropyl)cyclohex-3-ene-1-carboxamide
MOLECULAR FORMULA: C16H21NO
MOLECULAR WEIGHT: 243.34404
SMILES: C1CC(CC=C1)C(=O)NCCCC2=CC=CC=C2
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Product OPENEYE NAME: 2-methyl-N-(3-phenylpropyl)cyclopropanecarboxamide
CAS Name: 2-methyl-N-(3-phenylpropyl)-1-cyclopropanecarboxamide
IUPAC NAME: 2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: 2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CC1CC1C(=O)NCCCC2=CC=CC=C2
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Product OPENEYE NAME: 3-(2-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CAS Name: 3-(2-methylanilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone
IUPAC NAME: 3-(2-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-[(2-methylphenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C18H23N5O
MOLECULAR WEIGHT: 325.40812
SMILES: CC1=CC=CC=C1NCCC(=O)N2CCN(CC2)C3=NC=CC=N3
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Product OPENEYE NAME: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CAS Name: 2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-pyridazine-3,6-dione
IUPAC NAME: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
MOLECULAR FORMULA: C14H16N6O3
MOLECULAR WEIGHT: 316.31524
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C=CC(=O)N3
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Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
MOLECULAR FORMULA: C16H24N2O2S
MOLECULAR WEIGHT: 308.43896
SMILES: CC12CCC(=O)N1C(CS2)C(=O)NCCC3=CCCCC3
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Product OPENEYE NAME: 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylsulfonyl-benzamide
CAS Name: 2-chloro-N-[2-(1-cyclohexenyl)ethyl]-5-methylsulfonylbenzamide
IUPAC NAME: 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylsulfonylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]-5-methylsulfonyl-benzamide
MOLECULAR FORMULA: C16H20ClNO3S
MOLECULAR WEIGHT: 341.8529
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCCC2=CCCCC2
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Product OPENEYE NAME: 4-acetamido-N-(2-cyanophenyl)benzamide
CAS Name: 4-acetamido-N-(2-cyanophenyl)benzamide
IUPAC NAME: 4-acetamido-N-(2-cyanophenyl)benzamide
SYSTEMATIC NAME: 4-acetamido-N-(2-cyanophenyl)benzamide
MOLECULAR FORMULA: C16H13N3O2
MOLECULAR WEIGHT: 279.29332
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C#N
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Product OPENEYE NAME: 6-(4-methylpiperidine-1-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CAS Name: 6-[(4-methyl-1-piperidinyl)-oxomethyl]-1,4-dihydroquinoxaline-2,3-dione
IUPAC NAME: 6-(4-methylpiperidine-1-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
SYSTEMATIC NAME: 6-(4-methylpiperidin-1-yl)carbonyl-1,4-dihydroquinoxaline-2,3-dione
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3
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Product OPENEYE NAME: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one
CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-2,2-dimethyl-1-propanone
IUPAC NAME: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SYSTEMATIC NAME: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)OC
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