Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C24H27N3O2S
MOLECULAR WEIGHT: 421.55508
SMILES: CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(4-acetyl-2-methoxy-phenoxy)-N-(butylcarbamoyl)acetamide
CAS Name: 2-(4-acetyl-2-methoxyphenoxy)-N-[butylamino(oxo)methyl]acetamide
IUPAC NAME: 2-(4-acetyl-2-methoxyphenoxy)-N-(butylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(butylcarbamoyl)-2-(4-ethanoyl-2-methoxy-phenoxy)ethanamide
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CCCCNC(=O)NC(=O)COC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H23NO6
MOLECULAR WEIGHT: 409.43182
SMILES: CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H19N3O3S2
MOLECULAR WEIGHT: 377.48106
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: benzhydryl-methyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]azanium
MOLECULAR FORMULA: C22H24N3O3S+
MOLECULAR WEIGHT: 410.50926
SMILES: C[NH+](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(4-sulfamoylphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(4-sulfamoylphenyl)ethanamide
MOLECULAR FORMULA: C22H23N3O3S
MOLECULAR WEIGHT: 409.50132
SMILES: CN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18O7
MOLECULAR WEIGHT: 382.36342
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-chlorophenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chlorophenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chlorophenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(2-chlorophenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H18ClNO4
MOLECULAR WEIGHT: 347.79282
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-chlorophenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chlorophenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chlorophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(2-chlorophenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H18ClNO4
MOLECULAR WEIGHT: 347.79282
SMILES: C[C@H](C(=O)NC1=CC=CC=C1Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: benzhydryl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium
MOLECULAR FORMULA: C22H24N3O3S+
MOLECULAR WEIGHT: 410.50926
SMILES: C[NH+](CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(3-sulfamoylphenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(3-sulfamoylphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(3-sulfamoylphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(3-sulfamoylphenyl)ethanamide
MOLECULAR FORMULA: C22H23N3O3S
MOLECULAR WEIGHT: 409.50132
SMILES: CN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H19N3O3S2
MOLECULAR WEIGHT: 377.48106
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[4-(difluoromethylthio)phenyl]propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
SYSTEMATIC NAME: (2S)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H19F2NO4S
MOLECULAR WEIGHT: 395.420266
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: methyl 4-methyl-3-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CAS Name: 4-methyl-3-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-methyl-3-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-methyl-3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate
MOLECULAR FORMULA: C22H21N3O3S
MOLECULAR WEIGHT: 407.48544
SMILES: CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[4-(difluoromethylthio)phenyl]propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
SYSTEMATIC NAME: (2R)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H19F2NO4S
MOLECULAR WEIGHT: 395.420266
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: benzhydryl-[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C24H24N3OS+
MOLECULAR WEIGHT: 402.53186
SMILES: C[NH+](CC(=O)NC1=C(C2=C(S1)CCC2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SYSTEMATIC NAME: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C24H23N3OS
MOLECULAR WEIGHT: 401.52392
SMILES: CN(CC(=O)NC1=C(C2=C(S1)CCC2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2,5-dimethylphenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(2,5-dimethylphenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: benzhydryl-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C24H26N3O2S+
MOLECULAR WEIGHT: 420.54714
SMILES: C[NH+](CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CAS Name: 2-[[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
IUPAC NAME: 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SYSTEMATIC NAME: 2-[2-[(diphenylmethyl)-methyl-amino]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
MOLECULAR FORMULA: C24H25N3O2S
MOLECULAR WEIGHT: 419.5392
SMILES: CN(CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(2,4-dioxothiazolidin-3-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[2-(2,4-dioxo-3-thiazolidinyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H18N4O3S2
MOLECULAR WEIGHT: 402.49052
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCN3C(=O)CSC3=O
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2,5-dimethylphenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(2,5-dimethylphenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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