Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C23H27N3O2S
MOLECULAR WEIGHT: 409.54438
SMILES: CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H20N2O5
MOLECULAR WEIGHT: 404.4153
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)C(C)C
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Product OPENEYE NAME: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20FN3OS
MOLECULAR WEIGHT: 381.466403
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[methyl-[2-oxidanylidene-2-(propylamino)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H22N2O6
MOLECULAR WEIGHT: 374.38778
SMILES: CCCNC(=O)CN(C)C(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(o-tolylmethyl)acetamide
CAS Name: N-methyl-N-[(2-methylphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=CC=CC=C1CN(C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16FNO6
MOLECULAR WEIGHT: 397.353243
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(C=C(C=C3)NC(=O)C)F
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(p-tolylmethyl)acetamide
CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-methyl-N-[(4-methylphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-methyl-N-[(4-methylphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H21NO6
MOLECULAR WEIGHT: 407.41594
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)CCNC(=O)C
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Product OPENEYE NAME: [(1S)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H19ClN2O4
MOLECULAR WEIGHT: 362.80746
SMILES: C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20ClN3OS
MOLECULAR WEIGHT: 397.921
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C23H25N3O3S
MOLECULAR WEIGHT: 423.5279
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester
IUPAC NAME: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5S
MOLECULAR WEIGHT: 411.47084
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCSCC3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20FN3OS
MOLECULAR WEIGHT: 381.466403
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(2-furylmethyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-furanylmethyl)-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(furan-2-ylmethyl)-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC=CO3
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Product OPENEYE NAME: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16N2O6
MOLECULAR WEIGHT: 392.36154
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-(2,3-dimethylphenyl)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N-(2,3-dimethylphenyl)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N-(2,3-dimethylphenyl)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide
MOLECULAR FORMULA: C23H24N4O2S
MOLECULAR WEIGHT: 420.52726
SMILES: CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(1R)-2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [(1S)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18FNO5
MOLECULAR WEIGHT: 383.369723
SMILES: CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N-(2-ethylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-ethylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-ethylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CCC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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