Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C17H20N2O5
MOLECULAR WEIGHT: 332.3511
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=NOC(=C2)C
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Product OPENEYE NAME: [(1S)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)CCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-(5-chloro-2-fluoro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(5-chloro-2-fluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(5-chloro-2-fluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-fluoranyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H15ClFN3OS
MOLECULAR WEIGHT: 387.858303
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)F
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Product OPENEYE NAME: [(1R)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)CCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N'-acetyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetohydrazide
CAS Name: N'-acetyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetohydrazide
IUPAC NAME: N'-acetyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetohydrazide
SYSTEMATIC NAME: N'-ethanoyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanehydrazide
MOLECULAR FORMULA: C15H16N4O2S
MOLECULAR WEIGHT: 316.37814
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NNC(=O)C
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Product OPENEYE NAME: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7-ethyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C23H24O5
MOLECULAR WEIGHT: 380.43366
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3OCC
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Product OPENEYE NAME: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
CAS Name: 2-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1,3-benzoxazole
IUPAC NAME: 2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
MOLECULAR FORMULA: C19H15N3OS
MOLECULAR WEIGHT: 333.4069
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]phenyl]methyl]acetamide
CAS Name: N-[[4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]methyl]acetamide
IUPAC NAME: N-[[4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]phenyl]methyl]acetamide
SYSTEMATIC NAME: N-[[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]phenyl]methyl]ethanamide
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)CNC(=O)C
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Product OPENEYE NAME: [(1S)-2-[(3,5-dichloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20Cl2N2O4
MOLECULAR WEIGHT: 411.2791
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=N2)Cl)Cl
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CAS Name: N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[(1S)-1-phenylethyl]acetamide
IUPAC NAME: N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
SYSTEMATIC NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CAS Name: N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[(1R)-1-phenylethyl]acetamide
IUPAC NAME: N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SYSTEMATIC NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)[C@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-[(3,5-dichloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20Cl2N2O4
MOLECULAR WEIGHT: 411.2791
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=N2)Cl)Cl
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Product OPENEYE NAME: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2S)-2-methyl-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanenitrile
CAS Name: (2S)-2-methyl-3-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanenitrile
IUPAC NAME: (2S)-2-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanenitrile
SYSTEMATIC NAME: (2S)-2-methyl-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanenitrile
MOLECULAR FORMULA: C15H15N3S
MOLECULAR WEIGHT: 269.3647
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SC[C@@H](C)C#N
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Product OPENEYE NAME: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C18H18N2O4S
MOLECULAR WEIGHT: 358.41152
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)N3C=CSC3=N2
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Product OPENEYE NAME: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H26N2O5
MOLECULAR WEIGHT: 350.40944
SMILES: C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCC1=CC=C(C=C1)OC
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Product OPENEYE NAME: (2R)-2-methyl-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanenitrile
CAS Name: (2R)-2-methyl-3-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanenitrile
IUPAC NAME: (2R)-2-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanenitrile
SYSTEMATIC NAME: (2R)-2-methyl-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanenitrile
MOLECULAR FORMULA: C15H15N3S
MOLECULAR WEIGHT: 269.3647
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SC[C@H](C)C#N
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Product OPENEYE NAME: dimethyl 5-amino-3-[3-(2-ethoxyphenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate
CAS Name: 5-amino-3-[[3-(2-ethoxyphenyl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-amino-3-[3-(2-ethoxyphenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-azanyl-3-[3-(2-ethoxyphenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C20H23NO7S
MOLECULAR WEIGHT: 421.46412
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC
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Product OPENEYE NAME: 1-(5-fluoro-2-methoxy-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(5-fluoro-2-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(5-fluoranyl-2-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=C(C=CC(=C3)F)OC
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Product OPENEYE NAME: N-[4-[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CAS Name: N-[4-[(2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]phenyl]acetamide
IUPAC NAME: N-[4-[(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]phenyl]ethanamide
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)C3=CC=C(C=C3)NC(=O)C
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Product OPENEYE NAME: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H26N2O5
MOLECULAR WEIGHT: 350.40944
SMILES: C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCC1=CC=C(C=C1)OC
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Product OPENEYE NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C17H23NO6S
MOLECULAR WEIGHT: 369.43262
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2
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Product OPENEYE NAME: N-[4-[(2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CAS Name: N-[4-[(2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]phenyl]acetamide
IUPAC NAME: N-[4-[(2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]phenyl]ethanamide
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)C3=CC=C(C=C3)NC(=O)C
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