Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1,3-bis[4-(bromomethyl)phenyl]benzene
CAS Name: 1,3-bis[4-(bromomethyl)phenyl]benzene
IUPAC NAME: 1,3-bis[4-(bromomethyl)phenyl]benzene
SYSTEMATIC NAME: 1,3-bis[4-(bromomethyl)phenyl]benzene
MOLECULAR FORMULA: C20H16Br2
MOLECULAR WEIGHT: 416.14904
SMILES: C1=CC(=CC(=C1)C2=CC=C(C=C2)CBr)C3=CC=C(C=C3)CBr
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Product OPENEYE NAME: 1-methoxy-2,4-dimethyl-naphthalene
CAS Name: 1-methoxy-2,4-dimethylnaphthalene
IUPAC NAME: 1-methoxy-2,4-dimethylnaphthalene
SYSTEMATIC NAME: 1-methoxy-2,4-dimethyl-naphthalene
MOLECULAR FORMULA: C13H14O
MOLECULAR WEIGHT: 186.24966
SMILES: CC1=CC(=C(C2=CC=CC=C12)OC)C
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Product OPENEYE NAME: 6-bromo-3-phenacyl-quinazolin-4-one
CAS Name: 6-bromo-3-phenacyl-4-quinazolinone
IUPAC NAME: 6-bromo-3-phenacylquinazolin-4-one
SYSTEMATIC NAME: 6-bromanyl-3-phenacyl-quinazolin-4-one
MOLECULAR FORMULA: C16H11BrN2O2
MOLECULAR WEIGHT: 343.17474
SMILES: C1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br
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Product OPENEYE NAME: 2-[2-amino-5-(5-chloro-2-nitro-phenyl)pyrimidin-4-yl]sulfanylacetic acid
CAS Name: 2-[[2-amino-5-(5-chloro-2-nitrophenyl)-4-pyrimidinyl]thio]acetic acid
IUPAC NAME: 2-[2-amino-5-(5-chloro-2-nitrophenyl)pyrimidin-4-yl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-azanyl-5-(5-chloranyl-2-nitro-phenyl)pyrimidin-4-yl]sulfanylethanoic acid
MOLECULAR FORMULA: C12H9ClN4O4S
MOLECULAR WEIGHT: 340.74226
SMILES: C1=CC(=C(C=C1Cl)C2=CN=C(N=C2SCC(=O)O)N)[N+](=O)[O-]
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Product OPENEYE NAME: 1,1-dimethyl-3-[2,2,2-trichloro-1-(2-nitroanilino)ethyl]urea
CAS Name: 1,1-dimethyl-3-[2,2,2-trichloro-1-(2-nitroanilino)ethyl]urea
IUPAC NAME: 1,1-dimethyl-3-[2,2,2-trichloro-1-(2-nitroanilino)ethyl]urea
SYSTEMATIC NAME: 1,1-dimethyl-3-[2,2,2-tris(chloranyl)-1-[(2-nitrophenyl)amino]ethyl]urea
MOLECULAR FORMULA: C11H13Cl3N4O3
MOLECULAR WEIGHT: 355.60492
SMILES: CN(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate
CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate
SYSTEMATIC NAME: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate
MOLECULAR FORMULA: C27H19ClN4O5S
MOLECULAR WEIGHT: 546.98156
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5
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Product OPENEYE NAME: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] naphthalene-1-carboxylate
CAS Name: 1-naphthalenecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
SYSTEMATIC NAME: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] naphthalene-1-carboxylate
MOLECULAR FORMULA: C25H17Cl2NO3
MOLECULAR WEIGHT: 450.31338
SMILES: C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate
CAS Name: 3-[3-(3-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-nitrophenyl)-2-oxoethyl] 3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
SYSTEMATIC NAME: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate
MOLECULAR FORMULA: C26H18ClN3O5
MOLECULAR WEIGHT: 487.89122
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Cl)C=CC(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 6-(4-nitrophenyl)-2-(2-pyridylmethylene)imidazo[2,1-b]thiazol-3-one
CAS Name: 6-(4-nitrophenyl)-2-(2-pyridinylmethylidene)-3-imidazo[2,1-b]thiazolone
IUPAC NAME: 6-(4-nitrophenyl)-2-(pyridin-2-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
SYSTEMATIC NAME: 6-(4-nitrophenyl)-2-(pyridin-2-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
MOLECULAR FORMULA: C17H10N4O3S
MOLECULAR WEIGHT: 350.3513
SMILES: C1=CC=NC(=C1)C=C2C(=O)N3C=C(N=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)-3-(5-isoquinolyl)thiourea
CAS Name: 1-(2,4-dimethylphenyl)-3-(5-isoquinolinyl)thiourea
IUPAC NAME: 1-(2,4-dimethylphenyl)-3-isoquinolin-5-ylthiourea
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)-3-isoquinolin-5-yl-thiourea
MOLECULAR FORMULA: C18H17N3S
MOLECULAR WEIGHT: 307.41268
SMILES: CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3)C
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Product OPENEYE NAME: 2-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)propanoate
CAS Name: 2-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)propanoate
IUPAC NAME: 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: 2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C11H4Cl4NO4-
MOLECULAR WEIGHT: 355.96576
SMILES: CC(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
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