Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-isobutyl-propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methylpropyl)propanamide
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: C[C@H](C(=O)NCC(C)C)OC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H20N2O6
MOLECULAR WEIGHT: 408.404
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C
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Product OPENEYE NAME: (2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H23N3O2S
MOLECULAR WEIGHT: 393.50192
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C10H11N3OS3
MOLECULAR WEIGHT: 285.40884
SMILES: CN(C)C(=S)SCC1=NN=C(O1)C2=CC=CS2
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-isobutyl-propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methylpropyl)propanamide
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: C[C@@H](C(=O)NCC(C)C)OC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C)C
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Product OPENEYE NAME: (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H23N3O2S
MOLECULAR WEIGHT: 393.50192
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-ethyl-6-methylphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-ethyl-6-methylphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)C
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(3-chloro-4-fluoro-phenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H17ClFNO4
MOLECULAR WEIGHT: 365.783283
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C20H16N2O3S
MOLECULAR WEIGHT: 364.41764
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H20N2O6
MOLECULAR WEIGHT: 408.404
SMILES: CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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