Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22ClNO4
MOLECULAR WEIGHT: 375.84598
SMILES: CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H22FN3OS
MOLECULAR WEIGHT: 395.492983
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N[C@H](C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H22FN3OS
MOLECULAR WEIGHT: 395.492983
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N[C@H](C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C17H25NO4
MOLECULAR WEIGHT: 307.3847
SMILES: C[C@H](C(=O)NCC(C)C)OC(=O)CCC1=CC=C(C=C1)OC
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@H](CNC(=O)[C@@H](C)OC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C17H25NO4
MOLECULAR WEIGHT: 307.3847
SMILES: C[C@@H](C(=O)NCC(C)C)OC(=O)CCC1=CC=C(C=C1)OC
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@@H](CNC(=O)[C@H](C)OC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19ClFNO4
MOLECULAR WEIGHT: 379.809863
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[(3-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H23N3O2S
MOLECULAR WEIGHT: 393.50192
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC(=CC=C3)OC
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Product OPENEYE NAME: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C23H25N3O2S
MOLECULAR WEIGHT: 407.5285
SMILES: CCOC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19ClFNO4
MOLECULAR WEIGHT: 379.809863
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(2,5-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(2,5-dimethoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(2,5-dimethoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(2,5-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C21H20N2O3S
MOLECULAR WEIGHT: 380.4601
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=C(C=CC(=C3)OC)OC
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Product OPENEYE NAME: [(1S)-2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19ClFNO4
MOLECULAR WEIGHT: 379.809863
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: ethyl (4R)-4-ethyl-6-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-ethyl-6-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-ethyl-6-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-ethyl-6-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C21H24N4O3S
MOLECULAR WEIGHT: 412.50526
SMILES: CC[C@@H]1C(=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C(=O)OCC
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Product OPENEYE NAME: [(1R)-2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19ClFNO4
MOLECULAR WEIGHT: 379.809863
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: ethyl (4S)-4-ethyl-6-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-ethyl-6-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-ethyl-6-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-ethyl-6-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C21H24N4O3S
MOLECULAR WEIGHT: 412.50526
SMILES: CC[C@H]1C(=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C(=O)OCC
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Product OPENEYE NAME: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H14O5S
MOLECULAR WEIGHT: 342.36576
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: [(1R)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-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: 2-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine
CAS Name: 2-[(2-methoxyphenyl)methylthio]-4-methyl-6-phenylpyrimidine
IUPAC NAME: 2-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
SYSTEMATIC NAME: 2-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine
MOLECULAR FORMULA: C19H18N2OS
MOLECULAR WEIGHT: 322.42402
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3OC
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