Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(1R)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-(p-tolyl)-1,3,4-oxadiazole
CAS Name: 2-(4-methylphenyl)-5-[(1R)-1-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(4-methylphenyl)-5-[(1R)-1-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-5-[(1R)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C22H20N4OS
MOLECULAR WEIGHT: 388.4854
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C)SC3=NC(=CC(=N3)C)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 5-[(2S)-2-[3-(2-ethoxyphenyl)propanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 5-[(2S)-2-[3-(2-ethoxyphenyl)-1-oxopropoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 5-[(2S)-2-[3-(2-ethoxyphenyl)propanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 5-[(2S)-2-[3-(2-ethoxyphenyl)propanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H27NO6
MOLECULAR WEIGHT: 401.45288
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C
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Product OPENEYE NAME: 2-[(1S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-(p-tolyl)-1,3,4-oxadiazole
CAS Name: 2-(4-methylphenyl)-5-[(1S)-1-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(4-methylphenyl)-5-[(1S)-1-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-5-[(1S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C22H20N4OS
MOLECULAR WEIGHT: 388.4854
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)SC3=NC(=CC(=N3)C)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 5-[(2R)-2-[3-(2-ethoxyphenyl)propanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 5-[(2R)-2-[3-(2-ethoxyphenyl)-1-oxopropoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 5-[(2R)-2-[3-(2-ethoxyphenyl)propanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 5-[(2R)-2-[3-(2-ethoxyphenyl)propanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H27NO6
MOLECULAR WEIGHT: 401.45288
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C
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Product OPENEYE NAME: [2-oxo-2-(2-oxoindolin-5-yl)ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-dihydroindol-5-yl)ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)C2=CC3=C(C=C2)NC(=O)C3
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Product OPENEYE NAME: N-[[5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]-2-thienyl]methyl]acetamide
CAS Name: N-[[5-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-thiophenyl]methyl]acetamide
IUPAC NAME: N-[[5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]thiophen-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C20H19N3O2S2
MOLECULAR WEIGHT: 397.51376
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC=C(S3)CNC(=O)C
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Product OPENEYE NAME: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C
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Product OPENEYE NAME: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester
IUPAC NAME: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21NO6S
MOLECULAR WEIGHT: 403.44884
SMILES: CCOC1=CC=CC=C1CCC(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CAS Name: N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[[4-(methylthio)phenyl]methyl]acetamide
IUPAC NAME: N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SYSTEMATIC NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide
MOLECULAR FORMULA: C22H23N3OS2
MOLECULAR WEIGHT: 409.56752
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CC=C(C=C3)SC
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Product OPENEYE NAME: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C16H20N2O4
MOLECULAR WEIGHT: 304.341
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NCCC#N
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Product OPENEYE NAME: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C22H20N2O3S
MOLECULAR WEIGHT: 392.4708
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCCCO4
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Product OPENEYE NAME: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C22H22O6
MOLECULAR WEIGHT: 382.40648
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O
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Product OPENEYE NAME: N-(2-furylmethyl)-2-[methyl-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N-(2-furanylmethyl)-2-[methyl-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N-(furan-2-ylmethyl)-2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-[methyl-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]amino]ethanamide
MOLECULAR FORMULA: C21H22N4O3S
MOLECULAR WEIGHT: 410.48938
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC(=O)NCC3=CC=CO3
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Product OPENEYE NAME: N-[3-fluoro-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
CAS Name: N-[3-fluoro-4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]acetamide
IUPAC NAME: N-[3-fluoro-4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
SYSTEMATIC NAME: N-[3-fluoranyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]phenyl]ethanamide
MOLECULAR FORMULA: C21H18FN3O2S
MOLECULAR WEIGHT: 395.449923
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=C(C=C(C=C3)NC(=O)C)F
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Product OPENEYE NAME: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[[(E)-styryl]sulfonylamino]propanoate
CAS Name: (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
SYSTEMATIC NAME: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
MOLECULAR FORMULA: C21H30N2O5S
MOLECULAR WEIGHT: 422.5383
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC1CCCCCC1)NS(=O)(=O)/C=C/C2=CC=CC=C2
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