Wednesday, August 3, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-cyclohexyl-3-indan-5-ylsulfonyl-urea
CAS Name: 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
IUPAC NAME: 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
SYSTEMATIC NAME: 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
MOLECULAR FORMULA: C16H22N2O3S
MOLECULAR WEIGHT: 322.42248
SMILES: C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC3=C(CCC3)C=C2
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Product OPENEYE NAME: 4-[2-[(2-amino-4-pyridyl)amino]ethyl]benzene-1,2-diol
CAS Name: 4-[2-[(2-amino-4-pyridinyl)amino]ethyl]benzene-1,2-diol
IUPAC NAME: 4-[2-[(2-aminopyridin-4-yl)amino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-[(2-azanylpyridin-4-yl)amino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: C1=CC(=C(C=C1CCNC2=CC(=NC=C2)N)O)O
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Product OPENEYE NAME: 7H-purin-2-amine
CAS Name: 7H-purin-2-amine
IUPAC NAME: 7H-purin-2-amine
SYSTEMATIC NAME: 7H-purin-2-amine
MOLECULAR FORMULA: C5H5N5
MOLECULAR WEIGHT: 135.1267
SMILES: C1=C2C(=NC(=N1)N)N=CN2
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Product OPENEYE NAME: pyridine-2,3-diamine
CAS Name: pyridine-2,3-diamine
IUPAC NAME: pyridine-2,3-diamine
SYSTEMATIC NAME: pyridine-2,3-diamine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: C1=CC(=C(N=C1)N)N
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Product OPENEYE NAME: 3-fluoro-4-methyl-aniline
CAS Name: 3-fluoro-4-methylaniline
IUPAC NAME: 3-fluoro-4-methylaniline
SYSTEMATIC NAME: 3-fluoranyl-4-methyl-aniline
MOLECULAR FORMULA: C7H8FN
MOLECULAR WEIGHT: 125.143523
SMILES: CC1=C(C=C(C=C1)N)F
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Product OPENEYE NAME: 4-methylbenzene-1,2-diol
CAS Name: 4-methylbenzene-1,2-diol
IUPAC NAME: 4-methylbenzene-1,2-diol
SYSTEMATIC NAME: 4-methylbenzene-1,2-diol
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=CC(=C(C=C1)O)O
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Product OPENEYE NAME: methyl 2-fluoroacetate
CAS Name: 2-fluoroacetic acid methyl ester
IUPAC NAME: methyl 2-fluoroacetate
SYSTEMATIC NAME: methyl 2-fluoranylethanoate
MOLECULAR FORMULA: C3H5FO2
MOLECULAR WEIGHT: 92.069003
SMILES: COC(=O)CF
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Product OPENEYE NAME: tetrahydrofuran-3-ol
CAS Name: 3-oxolanol
IUPAC NAME: oxolan-3-ol
SYSTEMATIC NAME: oxolan-3-ol
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: C1COCC1O
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Product OPENEYE NAME: ethyl 2,2-difluoroacetate
CAS Name: 2,2-difluoroacetic acid ethyl ester
IUPAC NAME: ethyl 2,2-difluoroacetate
SYSTEMATIC NAME: ethyl 2,2-bis(fluoranyl)ethanoate
MOLECULAR FORMULA: C4H6F2O2
MOLECULAR WEIGHT: 124.086046
SMILES: CCOC(=O)C(F)F
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Product OPENEYE NAME: fluoro-dimethyl-phenyl-silane
CAS Name: fluoro-dimethyl-phenylsilane
IUPAC NAME: fluoro-dimethyl-phenylsilane
SYSTEMATIC NAME: fluoranyl-dimethyl-phenyl-silane
MOLECULAR FORMULA: C8H11FSi
MOLECULAR WEIGHT: 154.256843
SMILES: C[Si](C)(C1=CC=CC=C1)F
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Product OPENEYE NAME: 3-(trifluoromethyl)benzoic acid
CAS Name: 3-(trifluoromethyl)benzoic acid
IUPAC NAME: 3-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 3-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H5F3O2
MOLECULAR WEIGHT: 190.11931
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)O
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Product OPENEYE NAME: 4-(trifluoromethyl)aniline
CAS Name: 4-(trifluoromethyl)aniline
IUPAC NAME: 4-(trifluoromethyl)aniline
SYSTEMATIC NAME: 4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H6F3N
MOLECULAR WEIGHT: 161.12445
SMILES: C1=CC(=CC=C1C(F)(F)F)N
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Product OPENEYE NAME: 4-methylbenzenesulfonyl fluoride
CAS Name: 4-methylbenzenesulfonyl fluoride
IUPAC NAME: 4-methylbenzenesulfonyl fluoride
SYSTEMATIC NAME: 4-methylbenzenesulfonyl fluoride
MOLECULAR FORMULA: C7H7FO2S
MOLECULAR WEIGHT: 174.192683
SMILES: CC1=CC=C(C=C1)S(=O)(=O)F
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