Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H18F2N2O5S
MOLECULAR WEIGHT: 412.407726
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F)F
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Product OPENEYE NAME: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC(=O)NC
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Product OPENEYE NAME: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H25FN2O5S
MOLECULAR WEIGHT: 400.464903
SMILES: C[C@@H](C(=O)NC1CCCCCC1)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C23H23N3O3S
MOLECULAR WEIGHT: 421.51202
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)C[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC(=O)NC
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-(2-thienyl)ethyl]acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2-thiophen-2-ylethyl)acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)ethanamide
MOLECULAR FORMULA: C19H19N3OS2
MOLECULAR WEIGHT: 369.50366
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC3=CC=CS3
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Product OPENEYE NAME: 6-amino-1-methyl-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CAS Name: 6-amino-1-methyl-5-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-methyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-methyl-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H17N5O3S
MOLECULAR WEIGHT: 383.42428
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C)N
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Product OPENEYE NAME: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O7
MOLECULAR WEIGHT: 416.42446
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC
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Product OPENEYE NAME: N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3-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(=CC=C3)Cl
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Product OPENEYE NAME: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H25FN2O5S
MOLECULAR WEIGHT: 400.464903
SMILES: C[C@H](C(=O)NC1CCCCCC1)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: 1-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[1-[(2S)-1-methoxypropan-2-yl]-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(N1[C@@H](C)COC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O7
MOLECULAR WEIGHT: 416.42446
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC
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Product OPENEYE NAME: 1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[1-[(2R)-1-methoxypropan-2-yl]-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(N1[C@H](C)COC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H18F2N2O5S
MOLECULAR WEIGHT: 412.407726
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H22N2O4S
MOLECULAR WEIGHT: 398.47538
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C
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Product OPENEYE NAME: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C22H24N2O4S
MOLECULAR WEIGHT: 412.50196
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C
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Product OPENEYE NAME: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H18F2N2O5S
MOLECULAR WEIGHT: 412.407726
SMILES: C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: 1-(3-fluoro-4-methoxy-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(3-fluoranyl-4-methoxy-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C20H17FN2O2S
MOLECULAR WEIGHT: 368.424583
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)F
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Product OPENEYE NAME: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C22H24N2O6
MOLECULAR WEIGHT: 412.43576
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-[(1S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CAS Name: 2-[(1S)-1-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[(1S)-1-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[(1S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C21H18N4OS
MOLECULAR WEIGHT: 374.45882
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C3=NN=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C19H21FN2O5S
MOLECULAR WEIGHT: 408.443843
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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