Saturday, September 3, 2011

All Chemical Compounds Information




Product OPENEYE NAME: anthracene-9,10-diol
CAS Name: anthracene-9,10-diol
IUPAC NAME: anthracene-9,10-diol
SYSTEMATIC NAME: anthracene-9,10-diol
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2O)O
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Product OPENEYE NAME: 1,4-dimethylenecyclohexane
CAS Name: 1,4-dimethylenecyclohexane
IUPAC NAME: 1,4-dimethylidenecyclohexane
SYSTEMATIC NAME: 1,4-dimethylidenecyclohexane
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C=C1CCC(=C)CC1
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Product OPENEYE NAME: 4-pyridylmethyl N-(4-methoxyphenyl)carbamate
CAS Name: N-(4-methoxyphenyl)carbamic acid pyridin-4-ylmethyl ester
IUPAC NAME: pyridin-4-ylmethyl N-(4-methoxyphenyl)carbamate
SYSTEMATIC NAME: pyridin-4-ylmethyl N-(4-methoxyphenyl)carbamate
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: COC1=CC=C(C=C1)NC(=O)OCC2=CC=NC=C2
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Product OPENEYE NAME: 3,7-dimethyloct-1-ene
CAS Name: 3,7-dimethyl-1-octene
IUPAC NAME: 3,7-dimethyloct-1-ene
SYSTEMATIC NAME: 3,7-dimethyloct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CC(C)CCCC(C)C=C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23ClN2O
MOLECULAR WEIGHT: 330.85172
SMILES: C[NH+](C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: CN(C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31
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Product OPENEYE NAME: 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[3-azanylpropyl(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C7H18N2O2
MOLECULAR WEIGHT: 162.23002
SMILES: C(CN)CN(CCO)CCO
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Product OPENEYE NAME: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-1-pyrimidinyl]-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[4-(oxidanylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C9H14N3O9P
MOLECULAR WEIGHT: 339.195921
SMILES: C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
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Product OPENEYE NAME: 6-chloro-2,3,4,5-tetrahydroxy-hexanal
CAS Name: 6-chloro-2,3,4,5-tetrahydroxyhexanal
IUPAC NAME: 6-chloro-2,3,4,5-tetrahydroxyhexanal
SYSTEMATIC NAME: 6-chloranyl-2,3,4,5-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C6H11ClO5
MOLECULAR WEIGHT: 198.60154
SMILES: C(C(C(C(C(C=O)O)O)O)O)Cl
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Product OPENEYE NAME: 2-(4-benzyl-1-piperidyl)-N,N-dimethyl-ethanamine
CAS Name: N,N-dimethyl-2-[4-(phenylmethyl)-1-piperidinyl]ethanamine
IUPAC NAME: 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
MOLECULAR FORMULA: C16H26N2
MOLECULAR WEIGHT: 246.39104
SMILES: CN(C)CCN1CCC(CC1)CC2=CC=CC=C2
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Product OPENEYE NAME: 2-(diethylaminomethyl)phenol
CAS Name: 2-(diethylaminomethyl)phenol
IUPAC NAME: 2-(diethylaminomethyl)phenol
SYSTEMATIC NAME: 2-(diethylaminomethyl)phenol
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CCN(CC)CC1=CC=CC=C1O
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Product OPENEYE NAME: (17S)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: (17S)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (17S)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (17S)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C18H28O2
MOLECULAR WEIGHT: 276.41372
SMILES: CC12CCC3C(C1CC[C@@H]2O)CCC4=C3CCC(C4)O
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Product OPENEYE NAME: 2-(2-oxoindolin-3-yl)ethylammonium chloride
CAS Name: 2-(2-oxo-1,3-dihydroindol-3-yl)ethylammonium chloride
IUPAC NAME: 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride
SYSTEMATIC NAME: 2-(2-oxidanylidene-1,3-dihydroindol-3-yl)ethylazanium chloride
MOLECULAR FORMULA: C10H13ClN2O
MOLECULAR WEIGHT: 212.67602
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)CC[NH3+].[Cl-]
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Product OPENEYE NAME: 3-(2-aminoethyl)indolin-2-one
CAS Name: 3-(2-aminoethyl)-1,3-dihydroindol-2-one
IUPAC NAME: 3-(2-aminoethyl)-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 3-(2-azanylethyl)-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)CCN
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Product OPENEYE NAME: cyclohex-3-en-1-ylbenzene
CAS Name: 1-cyclohex-3-enylbenzene
IUPAC NAME: cyclohex-3-en-1-ylbenzene
SYSTEMATIC NAME: cyclohex-3-en-1-ylbenzene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1CC(CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: cyclohexylammonium chloride
CAS Name: cyclohexylammonium chloride
IUPAC NAME: cyclohexylazanium chloride
SYSTEMATIC NAME: cyclohexylazanium chloride
MOLECULAR FORMULA: C6H14ClN
MOLECULAR WEIGHT: 135.63506
SMILES: C1CCC(CC1)[NH3+].[Cl-]
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Product OPENEYE NAME: 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-phenol
CAS Name: 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
IUPAC NAME: 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
SYSTEMATIC NAME: 2-methoxy-4-[2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CNCC(C1=CC(=C(C=C1)O)OC)O
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Product OPENEYE NAME: 2-[4-(2-fluorophenyl)phenyl]acetic acid
CAS Name: 2-[4-(2-fluorophenyl)phenyl]acetic acid
IUPAC NAME: 2-[4-(2-fluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(2-fluorophenyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C14H11FO2
MOLECULAR WEIGHT: 230.234343
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)CC(=O)O)F
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