Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[4-[5-[2-(hydroxyamino)-2-oxo-ethyl]-2-thienyl]thiazol-2-yl]-2-phenoxy-acetamide
CAS Name: N-hydroxy-2-[5-[2-[(1-oxo-2-phenoxyethyl)amino]-4-thiazolyl]-2-thiophenyl]acetamide
IUPAC NAME: N-hydroxy-2-[5-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]acetamide
SYSTEMATIC NAME: N-oxidanyl-2-[5-[2-(2-phenoxyethanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanamide
MOLECULAR FORMULA: C17H15N3O4S2
MOLECULAR WEIGHT: 389.4487
SMILES: C1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C3=CC=C(S3)CC(=O)NO
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Product OPENEYE NAME: (2S)-2-[[2-[4-[[2-[[4-[4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoyl]amino]-5-[acetyl(hydroxy)amino]pentanoyl]amino]-5-[acetyl(hydroxy)amino]pentanoyl]amino]butanoyl]benzoyl]amino]acetyl]amino]phenyl]ethoxy-hydroxy-phosphoryl]me
CAS Name: (2S)-2-[[2-[4-[[2-[[[4-[4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[acetyl(hydroxy)amino]-1-oxopentyl]amino]-5-[acetyl(hydroxy)amino]-1-oxopentyl]amino]-5-[acetyl(hydroxy)amino]-1-oxopentyl]amino]-1-oxobutyl]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]phenyl]
IUPAC NAME: (2S)-2-[[2-[4-[[2-[[4-[4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoyl]amino]-5-[acetyl(hydroxy)amino]pentanoyl]amino]-5-[acetyl(hydroxy)amino]pentanoyl]amino]butanoyl]benzoyl]amino]acetyl]amino]phenyl]ethoxy-hydroxyphosphoryl]met
SYSTEMATIC NAME: (2S)-2-[[2-[4-[2-[[4-[4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[ethanoyl(oxidanyl)amino]pentanoyl]amino]-5-[ethanoyl(oxidanyl)amino]pentanoyl]amino]-5-[ethanoyl(oxidanyl)amino]pentanoyl]amino]butanoyl]phenyl]carbonylamino]ethanoylamino]phenyl]ethoxy-oxida
MOLECULAR FORMULA: C50H72N9O20P
MOLECULAR WEIGHT: 1150.128741
SMILES: CC(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)NCCCC(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)CCOP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O
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Product OPENEYE NAME: 2-(3,4-dichlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
CAS Name: 2-(3,4-dichlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
IUPAC NAME: 2-(3,4-dichlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
MOLECULAR FORMULA: C23H18Cl6N2
MOLECULAR WEIGHT: 535.12042
SMILES: C1CN(C(N1CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)CC4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 1,3-bis[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)imidazolidine
CAS Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)imidazolidine
IUPAC NAME: 1,3-bis[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)imidazolidine
SYSTEMATIC NAME: 1,3-bis[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)imidazolidine
MOLECULAR FORMULA: C25H27N3O4
MOLECULAR WEIGHT: 433.49958
SMILES: COC1=CC=C(C=C1)CN2CCN(C2C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)imidazolidine
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)imidazolidine
IUPAC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)imidazolidine
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)imidazolidine
MOLECULAR FORMULA: C23H20Cl4N2
MOLECULAR WEIGHT: 466.2303
SMILES: C1CN(C(N1CC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22N4O2
MOLECULAR WEIGHT: 374.43568
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCCC4=CNC5=C4C=C(C=C5)OC
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Product OPENEYE NAME: 4-[(3,4-dimethoxyphenyl)iminomethyl]benzenesulfonamide
CAS Name: 4-[(3,4-dimethoxyphenyl)iminomethyl]benzenesulfonamide
IUPAC NAME: 4-[(3,4-dimethoxyphenyl)iminomethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[(3,4-dimethoxyphenyl)iminomethyl]benzenesulfonamide
MOLECULAR FORMULA: C15H16N2O4S
MOLECULAR WEIGHT: 320.36354
SMILES: COC1=C(C=C(C=C1)N=CC2=CC=C(C=C2)S(=O)(=O)N)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H19FN4O
MOLECULAR WEIGHT: 362.400163
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCCC4=CNC5=C4C=C(C=C5)F
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Product OPENEYE NAME: (4R)-3-[(2S,3S)-3-[(3-amino-2-chloro-benzoyl)amino]-4-(4-ethoxyphenyl)-2-hydroxy-butanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4R)-3-[(2S,3S)-3-[[(3-amino-2-chlorophenyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-2-hydroxy-1-oxobutyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: (4R)-3-[(2S,3S)-3-[(3-amino-2-chlorobenzoyl)amino]-4-(4-ethoxyphenyl)-2-hydroxybutanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4R)-3-[(2S,3S)-3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-(4-ethoxyphenyl)-2-oxidanyl-butanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C34H41ClN4O5S
MOLECULAR WEIGHT: 653.23114
SMILES: CCOC1=CC=C(C=C1)C[C@@H]([C@@H](C(=O)N2CSC([C@H]2C(=O)NCC3=C(C=CC=C3C)C)(C)C)O)NC(=O)C4=C(C(=CC=C4)N)Cl
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Product OPENEYE NAME: (4-sulfanylphenyl)methylphosphonic acid
CAS Name: (4-mercaptophenyl)methylphosphonic acid
IUPAC NAME: (4-sulfanylphenyl)methylphosphonic acid
SYSTEMATIC NAME: (4-sulfanylphenyl)methylphosphonic acid
MOLECULAR FORMULA: C7H9O3PS
MOLECULAR WEIGHT: 204.183321
SMILES: C1=CC(=CC=C1CP(=O)(O)O)S
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H15N7O2S
MOLECULAR WEIGHT: 429.4545
SMILES: C1=CC=C(C=C1)C2=CN(C3=C2C4=C(C(=NN4C=N3)N)C#N)C5=CC=C(C=C5)S(=O)(=O)N
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]ethoxy]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)ethanoyl]amino]ethoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C22H30N4O13
MOLECULAR WEIGHT: 558.4926
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCN(C)C(=O)CN2C=CN=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 6-chloro-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-chloro-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-4-pyrimidinamine
IUPAC NAME: 6-chloro-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H15ClFN3O2S
MOLECULAR WEIGHT: 391.847003
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-anilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CAS Name: 2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-3-pyridinecarboxamide
IUPAC NAME: 2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 2-[(4-chloranyl-2-methyl-phenyl)amino]-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C23H21ClF3N3O4
MOLECULAR WEIGHT: 495.87875
SMILES: CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H17F4N3O2S
MOLECULAR WEIGHT: 439.426493
SMILES: CC1=C(N=C(N=C1NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F
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Product OPENEYE NAME: 5-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 5-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 5-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 5-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C21H19F4N3O2S
MOLECULAR WEIGHT: 453.453073
SMILES: CCC1=C(N=C(N=C1NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F
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