Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21N3O2
MOLECULAR WEIGHT: 335.39964
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCCC4=CC=C(C=C4)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20N4O2
MOLECULAR WEIGHT: 360.4091
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCCC4=CNC5=C4C=C(C=C5)O
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Product OPENEYE NAME: methyl 2-hydroxy-5-[(4-sulfamoylphenyl)methyleneamino]benzoate
CAS Name: 2-hydroxy-5-[(4-sulfamoylphenyl)methylideneamino]benzoic acid methyl ester
IUPAC NAME: methyl 2-hydroxy-5-[(4-sulfamoylphenyl)methylideneamino]benzoate
SYSTEMATIC NAME: methyl 2-oxidanyl-5-[(4-sulfamoylphenyl)methylideneamino]benzoate
MOLECULAR FORMULA: C15H14N2O5S
MOLECULAR WEIGHT: 334.34706
SMILES: COC(=O)C1=C(C=CC(=C1)N=CC2=CC=C(C=C2)S(=O)(=O)N)O
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Product OPENEYE NAME: methyl 4-[(4-sulfamoylphenyl)methyleneamino]benzoate
CAS Name: 4-[(4-sulfamoylphenyl)methylideneamino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(4-sulfamoylphenyl)methylideneamino]benzoate
SYSTEMATIC NAME: methyl 4-[(4-sulfamoylphenyl)methylideneamino]benzoate
MOLECULAR FORMULA: C15H14N2O4S
MOLECULAR WEIGHT: 318.34766
SMILES: COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)S(=O)(=O)N
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Product OPENEYE NAME: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetoxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[methyl-[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]ethoxy]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)ethanoyl]amino]ethoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C22H31N5O12
MOLECULAR WEIGHT: 557.50784
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCN(C)C(=O)CN2C=CN=C2[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 1-[(2S,3R,5R)-3-hydroxy-5-tridecyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
CAS Name: 1-[(2S,3R,5R)-3-hydroxy-5-tridecyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-pyrrolidinyl]-1-hexacosanone
IUPAC NAME: 1-[(2S,3R,5R)-3-hydroxy-5-tridecyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
SYSTEMATIC NAME: 1-[(2S,3R,5R)-2-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-oxidanyl-5-tridecyl-pyrrolidin-1-yl]hexacosan-1-one
MOLECULAR FORMULA: C50H97NO8
MOLECULAR WEIGHT: 840.30708
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1[C@@H](C[C@H]([C@@H]1CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CCCCCCCCCCCCC
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Product OPENEYE NAME: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dihydroxyphenyl)ethyl]thiourea
CAS Name: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dihydroxyphenyl)ethyl]thiourea
IUPAC NAME: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dihydroxyphenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-[2-(4-chlorophenyl)ethyl]thiourea
MOLECULAR FORMULA: C17H19ClN2O2S
MOLECULAR WEIGHT: 350.86296
SMILES: C1=CC(=CC=C1CCNC(=S)NCCC2=CC(=C(C=C2)O)O)Cl
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Product OPENEYE NAME: 3-[2-(4-chlorophenyl)ethyl]-1-[(3,4-dihydroxyphenyl)methyl]-1-methyl-thiourea
CAS Name: 3-[2-(4-chlorophenyl)ethyl]-1-[(3,4-dihydroxyphenyl)methyl]-1-methylthiourea
IUPAC NAME: 3-[2-(4-chlorophenyl)ethyl]-1-[(3,4-dihydroxyphenyl)methyl]-1-methylthiourea
SYSTEMATIC NAME: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-[2-(4-chlorophenyl)ethyl]-1-methyl-thiourea
MOLECULAR FORMULA: C17H19ClN2O2S
MOLECULAR WEIGHT: 350.86296
SMILES: CN(CC1=CC(=C(C=C1)O)O)C(=S)NCCC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (E)-3-[4-[[2-hydroxyethyl-[2-(1H-indol-2-yl)ethyl]amino]methyl]phenyl]prop-2-enehydroxamic acid
CAS Name: (E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-2-yl)ethyl]amino]methyl]phenyl]-2-propenamide
IUPAC NAME: (E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-2-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-[[2-hydroxyethyl-[2-(1H-indol-2-yl)ethyl]amino]methyl]phenyl]-N-oxidanyl-prop-2-enamide
MOLECULAR FORMULA: C22H25N3O3
MOLECULAR WEIGHT: 379.4522
SMILES: C1=CC=C2C(=C1)C=C(N2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO
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Product OPENEYE NAME: 2-methylsulfanyl-1H-pyrimido[4,5-b]quinolin-4-one
CAS Name: 2-(methylthio)-1H-pyrimido[4,5-b]quinolin-4-one
IUPAC NAME: 2-methylsulfanyl-1H-pyrimido[4,5-b]quinolin-4-one
SYSTEMATIC NAME: 2-methylsulfanyl-1H-pyrimido[4,5-b]quinolin-4-one
MOLECULAR FORMULA: C12H9N3OS
MOLECULAR WEIGHT: 243.28436
SMILES: CSC1=NC(=O)C2=CC3=CC=CC=C3N=C2N1
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