Thursday, July 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-[1-(2-thienylamino)ethyl]-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-[1-(thiophen-2-ylamino)ethyl]-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-[1-(thiophen-2-ylamino)ethyl]-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[1-(thiophen-2-ylamino)ethyl]-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C16H16N2O2S
MOLECULAR WEIGHT: 300.37544
SMILES: CC(C1=C(C2=CC=CC=C2N1)CC(=O)O)NC3=CC=CS3
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Product OPENEYE NAME: 2-[2-[1-(aminomethyl)-1-benzyl-2-phenyl-ethyl]-1H-indol-3-yl]acetamide
CAS Name: 2-[2-[1-amino-3-phenyl-2-(phenylmethyl)propan-2-yl]-1H-indol-3-yl]acetamide
IUPAC NAME: 2-[2-(1-amino-2-benzyl-3-phenylpropan-2-yl)-1H-indol-3-yl]acetamide
SYSTEMATIC NAME: 2-[2-[1-azanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-1H-indol-3-yl]ethanamide
MOLECULAR FORMULA: C26H27N3O
MOLECULAR WEIGHT: 397.51208
SMILES: C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CN)C3=C(C4=CC=CC=C4N3)CC(=O)N
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Product OPENEYE NAME: 2-(6,8-dimethyl-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
CAS Name: 2-(6,8-dimethyl-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
IUPAC NAME: 2-(6,8-dimethyl-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(6,8-dimethyl-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C21H20N2O2
MOLECULAR WEIGHT: 332.3957
SMILES: CC1=CC(=C2C(=C1)N3C(=C2CC(=O)O)CCN=C3C4=CC=CC=C4)C
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Product OPENEYE NAME: 2-[2-(1-aminoethyl)-5-fluoro-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-(1-aminoethyl)-5-fluoro-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-(1-aminoethyl)-5-fluoro-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(1-azanylethyl)-5-fluoranyl-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C12H13FN2O2
MOLECULAR WEIGHT: 236.242223
SMILES: CC(C1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O)N
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Product OPENEYE NAME: 2-[1-(2-thienyl)pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-(1-thiophen-2-yl-5-pyrimido[1,6-a]indolyl)acetic acid
IUPAC NAME: 2-(1-thiophen-2-ylpyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(1-thiophen-2-ylpyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C17H12N2O2S
MOLECULAR WEIGHT: 308.35438
SMILES: C1=CC=C2C(=C1)C(=C3N2C(=NC=C3)C4=CC=CS4)CC(=O)O
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Product OPENEYE NAME: 2-[1-(4-methyl-2-sulfooxy-phenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[1-(4-methyl-2-sulfooxyphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[1-(4-methyl-2-sulfooxyphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[1-(4-methyl-2-sulfooxy-phenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H18N2O6S
MOLECULAR WEIGHT: 414.43172
SMILES: CC1=CC(=C(C=C1)C2=NCCC3=C(C4=CC=CC=C4N32)CC(=O)O)OS(=O)(=O)O
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Product OPENEYE NAME: 2-[1-(4-fluorophenyl)-7-methoxy-pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[1-(4-fluorophenyl)-7-methoxy-5-pyrimido[1,6-a]indolyl]acetic acid
IUPAC NAME: 2-[1-(4-fluorophenyl)-7-methoxypyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[1-(4-fluorophenyl)-7-methoxy-pyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H15FN2O3
MOLECULAR WEIGHT: 350.343103
SMILES: COC1=CC2=C(C=C1)N3C(=C2CC(=O)O)C=CN=C3C4=CC=C(C=C4)F
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Product OPENEYE NAME: 2-[2-[1-[4-(chloromethylsulfanyl)anilino]ethyl]-5-fluoro-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-[1-[4-(chloromethylthio)anilino]ethyl]-5-fluoro-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-[1-[4-(chloromethylsulfanyl)anilino]ethyl]-5-fluoro-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[1-[[4-(chloromethylsulfanyl)phenyl]amino]ethyl]-5-fluoranyl-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H18ClFN2O2S
MOLECULAR WEIGHT: 392.874823
SMILES: CC(C1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O)NC3=CC=C(C=C3)SCCl
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Product OPENEYE NAME: 2-[5-fluoro-2-[2-[(4-methylbenzenecarbothioyl)amino]ethyl]indol-2-yl]acetic acid
CAS Name: 2-[5-fluoro-2-[2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]ethyl]-2-indolyl]acetic acid
IUPAC NAME: 2-[5-fluoro-2-[2-[(4-methylbenzenecarbothioyl)amino]ethyl]indol-2-yl]acetic acid
SYSTEMATIC NAME: 2-[5-fluoranyl-2-[2-[(4-methylphenyl)carbothioylamino]ethyl]indol-2-yl]ethanoic acid
MOLECULAR FORMULA: C20H19FN2O2S
MOLECULAR WEIGHT: 370.440463
SMILES: CC1=CC=C(C=C1)C(=S)NCCC2(C=C3C=C(C=CC3=N2)F)CC(=O)O
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Product OPENEYE NAME: 2-[1-(2-pyridylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[1-(2-pyridinylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: C1CN=C(N2C1=C(C3=CC=CC=C32)CC(=O)O)CC4=CC=CC=N4
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Product OPENEYE NAME: 2-[1-[4-(chloromethylsulfanyl)phenyl]-7-fluoro-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[1-[4-(chloromethylthio)phenyl]-7-fluoro-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[1-[4-(chloromethylsulfanyl)phenyl]-7-fluoro-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[4-(chloromethylsulfanyl)phenyl]-7-fluoranyl-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H16ClFN2O2S
MOLECULAR WEIGHT: 402.869643
SMILES: C1CN=C(N2C1=C(C3=C2C=CC(=C3)F)CC(=O)O)C4=CC=C(C=C4)SCCl
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Product OPENEYE NAME: 2-[7-fluoro-1-(4-methylsulfinylphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-fluoro-1-(4-methylsulfinylphenyl)-5-pyrimido[1,6-a]indolyl]acetic acid
IUPAC NAME: 2-[7-fluoro-1-(4-methylsulfinylphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-fluoranyl-1-(4-methylsulfinylphenyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H15FN2O3S
MOLECULAR WEIGHT: 382.408103
SMILES: CS(=O)C1=CC=C(C=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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Product OPENEYE NAME: 2-[1-(2-thienyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-(1-thiophen-2-yl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
IUPAC NAME: 2-(1-thiophen-2-yl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(1-thiophen-2-yl-3,4-dihydropyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C17H14N2O2S
MOLECULAR WEIGHT: 310.37026
SMILES: C1CN=C(N2C1=C(C3=CC=CC=C32)CC(=O)O)C4=CC=CS4
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Product OPENEYE NAME: 2-[7-fluoro-1-(2-thienyl)pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-(7-fluoro-1-thiophen-2-yl-5-pyrimido[1,6-a]indolyl)acetic acid
IUPAC NAME: 2-(7-fluoro-1-thiophen-2-ylpyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(7-fluoranyl-1-thiophen-2-yl-pyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C17H11FN2O2S
MOLECULAR WEIGHT: 326.344843
SMILES: C1=CSC(=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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Product OPENEYE NAME: 2-(1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetonitrile
CAS Name: 2-(1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetonitrile
IUPAC NAME: 2-(1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetonitrile
SYSTEMATIC NAME: 2-(1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)ethanenitrile
MOLECULAR FORMULA: C19H15N3
MOLECULAR WEIGHT: 285.3425
SMILES: C1CN=C(N2C1=C(C3=CC=CC=C32)CC#N)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[7-fluoro-1-(4-methyl-2-sulfooxy-phenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-fluoro-1-(4-methyl-2-sulfooxyphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[7-fluoro-1-(4-methyl-2-sulfooxyphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-fluoranyl-1-(4-methyl-2-sulfooxy-phenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H17FN2O6S
MOLECULAR WEIGHT: 432.422183
SMILES: CC1=CC(=C(C=C1)C2=NCCC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O)OS(=O)(=O)O
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