Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-(2-ethoxy-2-oxo-ethylidene)-4-oxo-thiazolidin-5-ylidene]acetic acid
CAS Name: 2-[2-(2-ethoxy-2-oxoethylidene)-4-oxo-5-thiazolidinylidene]acetic acid
IUPAC NAME: 2-[2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetic acid
SYSTEMATIC NAME: 2-[2-(2-ethoxy-2-oxidanylidene-ethylidene)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid
MOLECULAR FORMULA: C9H9NO5S
MOLECULAR WEIGHT: 243.23646
SMILES: CCOC(=O)C=C1NC(=O)C(=CC(=O)O)S1
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Product OPENEYE NAME: 5-[(4-allyloxy-3-chloro-5-ethoxy-phenyl)methylene]thiazolidine-2,4-dione
CAS Name: 5-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]thiazolidine-2,4-dione
IUPAC NAME: 5-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C15H14ClNO4S
MOLECULAR WEIGHT: 339.79396
SMILES: CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)S2)Cl)OCC=C
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Product OPENEYE NAME: methyl 2-[5-amino-6-cyano-7-(3-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-7H-thiazolo[3,2-a]pyridin-2-yl]acetate
CAS Name: 2-[5-amino-6-cyano-7-(3-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-7H-thiazolo[3,2-a]pyridin-2-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[5-amino-6-cyano-7-(3-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[5-azanyl-6-cyano-7-(3-methoxyphenyl)-8-(methylcarbamoyl)-3-oxidanylidene-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]ethanoate
MOLECULAR FORMULA: C20H20N4O5S
MOLECULAR WEIGHT: 428.4616
SMILES: CNC(=O)C1=C2N(C(=O)C(S2)CC(=O)OC)C(=C(C1C3=CC(=CC=C3)OC)C#N)N
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Product OPENEYE NAME: 2-[[2-(benzotriazol-1-yl)acetyl]-(o-tolylmethyl)amino]-2-(3,4-dimethoxyphenyl)-N-(4-morpholinophenyl)acetamide
CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-[(2-methylphenyl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-[4-(4-morpholinyl)phenyl]acetamide
IUPAC NAME: 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-(benzotriazol-1-yl)ethanoyl-[(2-methylphenyl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)ethanamide
MOLECULAR FORMULA: C36H38N6O5
MOLECULAR WEIGHT: 634.72412
SMILES: CC1=CC=CC=C1CN(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C(=O)CN5C6=CC=CC=C6N=N5
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Product OPENEYE NAME: N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-4-fluoro-benzamide
CAS Name: N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-4-fluorobenzamide
IUPAC NAME: N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-4-fluorobenzamide
SYSTEMATIC NAME: N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-4-fluoranyl-benzamide
MOLECULAR FORMULA: C23H25FN2O
MOLECULAR WEIGHT: 364.455803
SMILES: CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CCNC(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 3-(3-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-pyridylmethyl)thiourea
CAS Name: 3-(3-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-pyridinylmethyl)thiourea
IUPAC NAME: 3-(3-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(3-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea
MOLECULAR FORMULA: C24H23FN4S
MOLECULAR WEIGHT: 418.529623
SMILES: CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CC=N3)C(=S)NC4=CC(=CC=C4)F
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Product OPENEYE NAME: N-(2-methyl-4-nitro-phenyl)-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(2-methyl-4-nitrophenyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-(2-methyl-4-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(2-methyl-4-nitro-phenyl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C14H10N4O4S
MOLECULAR WEIGHT: 330.3186
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN=C3N(C2=O)C=CS3
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Product OPENEYE NAME: ethyl 5-[(2,4-dichlorobenzoyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 5-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[(2,4-dichlorobenzoyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 5-[(2,4-dichlorophenyl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C23H17Cl2N3O4S
MOLECULAR WEIGHT: 502.36978
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 3,4,5-trimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenyl-benzamide
CAS Name: 3,4,5-trimethoxy-N-[(2-oxo-1-pyrrolidinyl)methyl]-N-phenylbenzamide
IUPAC NAME: 3,4,5-trimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide
SYSTEMATIC NAME: 3,4,5-trimethoxy-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-N-phenyl-benzamide
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N(CN2CCCC2=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 4-[(2-oxopyrrolidin-1-yl)methyl-[4-(trifluoromethyl)benzoyl]amino]benzoate
CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl-[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(2-oxopyrrolidin-1-yl)methyl-[4-(trifluoromethyl)benzoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]benzoate
MOLECULAR FORMULA: C22H21F3N2O4
MOLECULAR WEIGHT: 434.40835
SMILES: CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 3-amino-N-(2-hydroxyethyl)-5-phenyl-pyrazine-2-carboxamide
CAS Name: 3-amino-N-(2-hydroxyethyl)-5-phenyl-2-pyrazinecarboxamide
IUPAC NAME: 3-amino-N-(2-hydroxyethyl)-5-phenylpyrazine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-N-(2-hydroxyethyl)-5-phenyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C13H14N4O2
MOLECULAR WEIGHT: 258.27586
SMILES: C1=CC=C(C=C1)C2=CN=C(C(=N2)N)C(=O)NCCO
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Product OPENEYE NAME: 2-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CAS Name: 2-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
IUPAC NAME: 2-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
MOLECULAR FORMULA: C21H24N2O4S2
MOLECULAR WEIGHT: 432.55626
SMILES: CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide
CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3,5-dinitrobenzamide
IUPAC NAME: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide
MOLECULAR FORMULA: C17H11ClFN5O5
MOLECULAR WEIGHT: 419.751143
SMILES: C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F
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Product OPENEYE NAME: 2-(1-adamantyl)-N-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]acetamide
CAS Name: 2-(1-adamantyl)-N-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]acetamide
IUPAC NAME: 2-(1-adamantyl)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
SYSTEMATIC NAME: 2-(1-adamantyl)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]ethanamide
MOLECULAR FORMULA: C28H33N3O
MOLECULAR WEIGHT: 427.58112
SMILES: CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)CC45CC6CC(C4)CC(C6)C5
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Product OPENEYE NAME: N-(1-adamantyl)-4-bromo-2-methyl-pyrazole-3-carboxamide
CAS Name: N-(1-adamantyl)-4-bromo-2-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-(1-adamantyl)-4-bromo-2-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-(1-adamantyl)-4-bromanyl-2-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C15H20BrN3O
MOLECULAR WEIGHT: 338.2428
SMILES: CN1C(=C(C=N1)Br)C(=O)NC23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: [7-(difluoromethyl)-5-(p-tolyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholino-methanone
CAS Name: [7-(difluoromethyl)-5-(4-methylphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]-(4-morpholinyl)methanone
IUPAC NAME: [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [7-[bis(fluoranyl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C19H18F2N4O2
MOLECULAR WEIGHT: 372.368626
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCOCC4
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Product OPENEYE NAME: 7-(2-methoxyphenyl)-5-phenyl-4-propylsulfanyl-pyrrolo[2,3-d]pyrimidine
CAS Name: 7-(2-methoxyphenyl)-5-phenyl-4-(propylthio)pyrrolo[2,3-d]pyrimidine
IUPAC NAME: 7-(2-methoxyphenyl)-5-phenyl-4-propylsulfanylpyrrolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 7-(2-methoxyphenyl)-5-phenyl-4-propylsulfanyl-pyrrolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C22H21N3OS
MOLECULAR WEIGHT: 375.48664
SMILES: CCCSC1=NC=NC2=C1C(=CN2C3=CC=CC=C3OC)C4=CC=CC=C4
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Product OPENEYE NAME: 2-methoxy-N-[2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CAS Name: 2-methoxy-N-[2-[3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thio]-1-indolyl]ethyl]benzamide
IUPAC NAME: 2-methoxy-N-[2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
SYSTEMATIC NAME: 2-methoxy-N-[2-[3-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
MOLECULAR FORMULA: C27H24F3N3O3S
MOLECULAR WEIGHT: 527.55797
SMILES: COC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4C(F)(F)F
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Product OPENEYE NAME: N-[2-[3-(2-morpholino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
CAS Name: N-[2-[3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-thiophenecarboxamide
IUPAC NAME: N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-[3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C21H23N3O3S2
MOLECULAR WEIGHT: 429.55562
SMILES: C1COCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4
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