Sunday, June 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17Br2N7
MOLECULAR WEIGHT: 515.20388
SMILES: CC(C)(C)C1=NC2=C(C=C(C3=NC4=NC5=CC=CC=C5NC(=C4C(=N1)N23)N)Br)Br
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MOLECULAR FORMULA: C21H18Br2N6
MOLECULAR WEIGHT: 514.21582
SMILES: CC1=CC=C(C=C1)NC2=C(C3=NC(=NC4=C(C=C(C(=N2)N43)Br)Br)C(C)(C)C)C#N
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MOLECULAR FORMULA: C27H29Br2N7O
MOLECULAR WEIGHT: 627.37346
SMILES: CC1=CC(=C(C=C1NC2=C(C3=NC(=NC4=C(C=C(C(=N2)N43)Br)Br)C(C)(C)C)C#N)NC(=O)C(C)(C)C)C
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17Br2N7
MOLECULAR WEIGHT: 515.20388
SMILES: CC(C)(C)C1=NC2=C(C=C(C3=NC(=C(C(=N1)N23)C#N)NC4=CC=CC=C4N)Br)Br
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H18Br2N6
MOLECULAR WEIGHT: 514.21582
SMILES: CC1=CC2=C(C=C1)N=C3C(=C2N)C4=NC(=NC5=C(C=C(C(=N3)N54)Br)Br)C(C)(C)C
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MOLECULAR FORMULA: C27H27Br2N7
MOLECULAR WEIGHT: 609.35818
SMILES: CC1=CC(=C2C3=C1N=C4C(=C5NC(=NC6=C(C=C(C(=N4)N56)Br)Br)C(C)(C)C)C3=NC(=N2)C(C)(C)C)C
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Product OPENEYE NAME: N-(5-amino-2,4-dimethyl-phenyl)-2,2-dimethyl-propanamide
CAS Name: N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylpropanamide
IUPAC NAME: N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(5-azanyl-2,4-dimethyl-phenyl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CC1=CC(=C(C=C1N)NC(=O)C(C)(C)C)C
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MOLECULAR FORMULA: C24H24O4
MOLECULAR WEIGHT: 376.44496
SMILES: CC1(C2=CC=C(O2)CC3=CC=C(O3)C(C4=CC=C(O4)CC5=CC=C1O5)(C)C)C
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Product OPENEYE NAME: methyl 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)sulfanyl]acetate
CAS Name: 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)thio]acetic acid methyl ester
IUPAC NAME: methyl 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)sulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[(2-methanoyl-3,4-dihydrophenanthren-1-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C18H16O3S
MOLECULAR WEIGHT: 312.38284
SMILES: COC(=O)CSC1=C(CCC2=C1C=CC3=CC=CC=C23)C=O
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Product OPENEYE NAME: 2-[acenaphthyleno[2,1-b]thiophen-8-yl(hydroxy)methyl]benzoic acid
CAS Name: 2-[8-acenaphthyleno[2,1-b]thiophenyl(hydroxy)methyl]benzoic acid
IUPAC NAME: 2-[acenaphthyleno[2,1-b]thiophen-8-yl(hydroxy)methyl]benzoic acid
SYSTEMATIC NAME: 2-[acenaphthyleno[2,1-b]thiophen-8-yl(oxidanyl)methyl]benzoic acid
MOLECULAR FORMULA: C22H14O3S
MOLECULAR WEIGHT: 358.40976
SMILES: C1=CC=C(C(=C1)C(C2=CC3=C(S2)C4=CC=CC5=C4C3=CC=C5)O)C(=O)O
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Product OPENEYE NAME: ethyl 2-amino-5-chloro-thiazole-4-carboxylate
CAS Name: 2-amino-5-chloro-4-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-5-chloro-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-chloranyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C6H7ClN2O2S
MOLECULAR WEIGHT: 206.64998
SMILES: CCOC(=O)C1=C(SC(=N1)N)Cl
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Product OPENEYE NAME: 2,5-dichlorothiazole-4-carbonyl azide
CAS Name: azido-(2,5-dichloro-4-thiazolyl)methanone
IUPAC NAME: 2,5-dichloro-1,3-thiazole-4-carbonyl azide
SYSTEMATIC NAME: azido-[2,5-bis(chloranyl)-1,3-thiazol-4-yl]methanone
MOLECULAR FORMULA: C4Cl2N4OS
MOLECULAR WEIGHT: 223.04
SMILES: C1(=C(SC(=N1)Cl)Cl)C(=O)N=[N+]=[N-]
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Product OPENEYE NAME: 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)thiazol-2-yl]acetamide
CAS Name: 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-(trifluoromethylthio)-2-thiazolyl]acetamide
IUPAC NAME: 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]ethanamide
MOLECULAR FORMULA: C7HF9N2OS2
MOLECULAR WEIGHT: 364.211269
SMILES: C1(=C(SC(=N1)NC(=O)C(F)(F)F)SC(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-methyl-2,5-bis(methylsulfanyl)-3,4-bis(methylsulfinyl)pyrrole
CAS Name: 1-methyl-3,4-bis(methylsulfinyl)-2,5-bis(methylthio)pyrrole
IUPAC NAME: 1-methyl-2,5-bis(methylsulfanyl)-3,4-bis(methylsulfinyl)pyrrole
SYSTEMATIC NAME: 1-methyl-2,5-bis(methylsulfanyl)-3,4-bis(methylsulfinyl)pyrrole
MOLECULAR FORMULA: C9H15NO2S4
MOLECULAR WEIGHT: 297.4809
SMILES: CN1C(=C(C(=C1SC)S(=O)C)S(=O)C)SC
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Product OPENEYE NAME: 1-methyl-2,3,4,5-tetrakis(methylsulfonyl)pyrrole
CAS Name: 1-methyl-2,3,4,5-tetrakis(methylsulfonyl)pyrrole
IUPAC NAME: 1-methyl-2,3,4,5-tetrakis(methylsulfonyl)pyrrole
SYSTEMATIC NAME: 1-methyl-2,3,4,5-tetrakis(methylsulfonyl)pyrrole
MOLECULAR FORMULA: C9H15NO8S4
MOLECULAR WEIGHT: 393.4773
SMILES: CN1C(=C(C(=C1S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)C
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Product OPENEYE NAME: 2,3,4,5-tetrakis(phenylsulfanyl)-1H-pyrrole
CAS Name: 2,3,4,5-tetrakis(phenylthio)-1H-pyrrole
IUPAC NAME: 2,3,4,5-tetrakis(phenylsulfanyl)-1H-pyrrole
SYSTEMATIC NAME: 2,3,4,5-tetrakis(phenylsulfanyl)-1H-pyrrole
MOLECULAR FORMULA: C28H21NS4
MOLECULAR WEIGHT: 499.73304
SMILES: C1=CC=C(C=C1)SC2=C(NC(=C2SC3=CC=CC=C3)SC4=CC=CC=C4)SC5=CC=CC=C5
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