Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2-ethoxyphenyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-ethoxyphenyl)methyl ester
IUPAC NAME: (2-ethoxyphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-ethoxyphenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CCOC1=CC=CC=C1COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CAS Name: 2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxamide
IUPAC NAME: 2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SYSTEMATIC NAME: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxamide
MOLECULAR FORMULA: C18H16N4O2S2
MOLECULAR WEIGHT: 384.47524
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=CS3)C(=O)N
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Product OPENEYE NAME: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)sulfanyl-propanamide
CAS Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-[(4-fluorophenyl)thio]propanamide
IUPAC NAME: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SYSTEMATIC NAME: N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)sulfanyl-propanamide
MOLECULAR FORMULA: C17H18ClFN2O3S2
MOLECULAR WEIGHT: 416.917823
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCSC2=CC=C(C=C2)F
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-phenylethyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-phenylethyl)propanamide
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: C[C@H](C(=O)NCCC1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: N-(3-cyano-2-thienyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(3-cyano-2-thiophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(3-cyanothiophen-2-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3-cyanothiophen-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H14N4OS2
MOLECULAR WEIGHT: 366.45996
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=CS3)C#N
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Product OPENEYE NAME: [2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 3-[2-(4-fluorophenyl)sulfanylethylsulfonyl]propanamide
CAS Name: 3-[2-[(4-fluorophenyl)thio]ethylsulfonyl]propanamide
IUPAC NAME: 3-[2-(4-fluorophenyl)sulfanylethylsulfonyl]propanamide
SYSTEMATIC NAME: 3-[2-(4-fluorophenyl)sulfanylethylsulfonyl]propanamide
MOLECULAR FORMULA: C11H14FNO3S2
MOLECULAR WEIGHT: 291.362163
SMILES: C1=CC(=CC=C1F)SCCS(=O)(=O)CCC(=O)N
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Product OPENEYE NAME: N'-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CAS Name: N'-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]benzohydrazide
IUPAC NAME: N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
SYSTEMATIC NAME: N'-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]benzohydrazide
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NNC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(3-chloro-2-methyl-phenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2-methylphenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CAS Name: 2-[(4-fluorophenyl)thio]-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
IUPAC NAME: 2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide
MOLECULAR FORMULA: C19H22FNO4S
MOLECULAR WEIGHT: 379.445683
SMILES: CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)CSC2=CC=C(C=C2)F
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Product OPENEYE NAME: phenyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanesulfonate
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanesulfonic acid phenyl ester
IUPAC NAME: phenyl 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanesulfonate
SYSTEMATIC NAME: phenyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanesulfonate
MOLECULAR FORMULA: C19H18N2O3S2
MOLECULAR WEIGHT: 386.48782
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCS(=O)(=O)OC3=CC=CC=C3
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Product OPENEYE NAME: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H22N4OS
MOLECULAR WEIGHT: 354.46918
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@@](C)(C#N)C(C)C
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(3-chloro-2-methyl-phenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2-methylphenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2-methylphenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: [2-(2-ethylanilino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(2-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-ethylanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N-cyclopropyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzamide
CAS Name: N-cyclopropyl-2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzamide
SYSTEMATIC NAME: N-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethanoylamino]benzamide
MOLECULAR FORMULA: C18H17FN2O2S
MOLECULAR WEIGHT: 344.403183
SMILES: C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)F
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-allyl-propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylpropanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylpropanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-prop-2-enyl-propanamide
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: C[C@@H](C(=O)NCC=C)OC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: (2S)-N-benzyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(phenylmethyl)propanamide
IUPAC NAME: (2S)-N-benzyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)propanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-(3-cyano-2-thienyl)-3-(4-fluorophenyl)sulfanyl-propanamide
CAS Name: N-(3-cyano-2-thiophenyl)-3-[(4-fluorophenyl)thio]propanamide
IUPAC NAME: N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide
SYSTEMATIC NAME: N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide
MOLECULAR FORMULA: C14H11FN2OS2
MOLECULAR WEIGHT: 306.378343
SMILES: C1=CC(=CC=C1F)SCCC(=O)NC2=C(C=CS2)C#N
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-allyl-propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylpropanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylpropanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-prop-2-enyl-propanamide
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: C[C@H](C(=O)NCC=C)OC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: [2-(1-cyclopropyl-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-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4CC4)C
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Product OPENEYE NAME: (2R)-N-benzyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(phenylmethyl)propanamide
IUPAC NAME: (2R)-N-benzyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)propanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: (7-hydroxy-2-oxo-chromen-4-yl)methyl N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7-hydroxy-2-oxochromen-4-yl)methyl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C13H13NO3S2
MOLECULAR WEIGHT: 295.37722
SMILES: CN(C)C(=S)SCC1=CC(=O)OC2=C1C=CC(=C2)O
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