Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6-bromo-3-chloro-N-[1-(2-thienyl)propylideneamino]benzothiophene-2-carboxamide
CAS Name: 6-bromo-3-chloro-N-(1-thiophen-2-ylpropylideneamino)-1-benzothiophene-2-carboxamide
IUPAC NAME: 6-bromo-3-chloro-N-(1-thiophen-2-ylpropylideneamino)-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 6-bromanyl-3-chloranyl-N-(1-thiophen-2-ylpropylideneamino)-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C16H12BrClN2OS2
MOLECULAR WEIGHT: 427.76628
SMILES: CCC(=NNC(=O)C1=C(C2=C(S1)C=C(C=C2)Br)Cl)C3=CC=CS3
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Product OPENEYE NAME: 1-[[4-(4-chloroanilino)-1,3-thiazet-2-ylidene]amino]propan-2-one
CAS Name: 1-[[4-(4-chloroanilino)-1,3-thiazet-2-ylidene]amino]-2-propanone
IUPAC NAME: 1-[[4-(4-chloroanilino)-1,3-thiazet-2-ylidene]amino]propan-2-one
SYSTEMATIC NAME: 1-[[4-[(4-chlorophenyl)amino]-1,3-thiazet-2-ylidene]amino]propan-2-one
MOLECULAR FORMULA: C11H10ClN3OS
MOLECULAR WEIGHT: 267.7346
SMILES: CC(=O)CN=C1N=C(S1)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-[3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-(3-nitrophenyl)prop-2-en-1-one
CAS Name: 1-[3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-(3-nitrophenyl)-2-propen-1-one
IUPAC NAME: 1-[3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-(3-nitrophenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-[3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-(3-nitrophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C33H33N3O5
MOLECULAR WEIGHT: 551.63222
SMILES: CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]
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Product OPENEYE NAME: azepan-1-yl-[1-(2-chlorobenzoyl)-3-piperidyl]methanone
CAS Name: 1-azepanyl-[1-[(2-chlorophenyl)-oxomethyl]-3-piperidinyl]methanone
IUPAC NAME: azepan-1-yl-[1-(2-chlorobenzoyl)piperidin-3-yl]methanone
SYSTEMATIC NAME: azepan-1-yl-[1-(2-chlorophenyl)carbonylpiperidin-3-yl]methanone
MOLECULAR FORMULA: C19H25ClN2O2
MOLECULAR WEIGHT: 348.867
SMILES: C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: butyl 2-[(5-bromofuran-2-carbonyl)amino]benzothiophene-3-carboxylate
CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester
IUPAC NAME: butyl 2-[(5-bromofuran-2-carbonyl)amino]-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: butyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C18H16BrNO4S
MOLECULAR WEIGHT: 422.29294
SMILES: CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(O3)Br
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Product OPENEYE NAME: N-(1-adamantyl)-3-fluoro-benzamide
CAS Name: N-(1-adamantyl)-3-fluorobenzamide
IUPAC NAME: N-(1-adamantyl)-3-fluorobenzamide
SYSTEMATIC NAME: N-(1-adamantyl)-3-fluoranyl-benzamide
MOLECULAR FORMULA: C17H20FNO
MOLECULAR WEIGHT: 273.345203
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC=C4)F
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Product OPENEYE NAME: methyl 2-[(5-bromo-2-chloro-benzoyl)amino]benzoate
CAS Name: 2-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(5-bromo-2-chlorobenzoyl)amino]benzoate
SYSTEMATIC NAME: methyl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]benzoate
MOLECULAR FORMULA: C15H11BrClNO3
MOLECULAR WEIGHT: 368.60974
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Br)Cl
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Product OPENEYE NAME: 2-cyano-3-(5-methyl-2-thienyl)-N-(2-phenylethyl)prop-2-enamide
CAS Name: 2-cyano-3-(5-methyl-2-thiophenyl)-N-(2-phenylethyl)-2-propenamide
IUPAC NAME: 2-cyano-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
MOLECULAR FORMULA: C17H16N2OS
MOLECULAR WEIGHT: 296.38674
SMILES: CC1=CC=C(S1)C=C(C#N)C(=O)NCCC2=CC=CC=C2
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Product OPENEYE NAME: [4-[[[2-(2-naphthyloxy)acetyl]hydrazono]methyl]phenyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [4-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
SYSTEMATIC NAME: [4-[(2-naphthalen-2-yloxyethanoylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
MOLECULAR FORMULA: C24H18N2O4S
MOLECULAR WEIGHT: 430.47572
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CS4
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Product OPENEYE NAME: 2-(2,3-dimethylphenoxy)-N-[[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]acetamide
CAS Name: 2-(2,3-dimethylphenoxy)-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide
IUPAC NAME: 2-(2,3-dimethylphenoxy)-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide
SYSTEMATIC NAME: 2-(2,3-dimethylphenoxy)-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]ethanamide
MOLECULAR FORMULA: C15H18N6O4
MOLECULAR WEIGHT: 346.34122
SMILES: CC1=C(C(=CC=C1)OCC(=O)NN=C(C)CN2C=NC(=N2)[N+](=O)[O-])C
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Product OPENEYE NAME: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-fluorosulfonyl-benzenesulfonate
CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-fluorosulfonylbenzenesulfonate
IUPAC NAME: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-fluorosulfonylbenzenesulfonate
SYSTEMATIC NAME: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-fluorosulfonyl-benzenesulfonate
MOLECULAR FORMULA: C27H29FN2O6S2
MOLECULAR WEIGHT: 560.657363
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)F)S(=O)(=O)[O-]
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Product OPENEYE NAME: [6-(diethylamino)-9-(4-fluorosulfonyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium
CAS Name: [6-(diethylamino)-9-(4-fluorosulfonyl-2-sulfophenyl)-3-xanthenylidene]-diethylammonium
IUPAC NAME: [6-(diethylamino)-9-(4-fluorosulfonyl-2-sulfophenyl)xanthen-3-ylidene]-diethylazanium
SYSTEMATIC NAME: [6-(diethylamino)-9-(4-fluorosulfonyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium
MOLECULAR FORMULA: C27H30FN2O6S2+
MOLECULAR WEIGHT: 561.665303
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)F)S(=O)(=O)O
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Product OPENEYE NAME: 6-amino-2-(3-aminopropanoylamino)hexanoic acid
CAS Name: 6-amino-2-[(3-amino-1-oxopropyl)amino]hexanoic acid
IUPAC NAME: 6-amino-2-(3-aminopropanoylamino)hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-(3-azanylpropanoylamino)hexanoic acid
MOLECULAR FORMULA: C9H19N3O3
MOLECULAR WEIGHT: 217.26546
SMILES: C(CCN)CC(C(=O)O)NC(=O)CCN
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Product OPENEYE NAME: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate
IUPAC NAME: [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C19H25N8O9P
MOLECULAR WEIGHT: 540.423761
SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3CO)N4C=NC5=C4N=CN=C5N)O
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