Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-benzyloxyphenyl)-5-(3-chlorophenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
IUPAC NAME: 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C26H20Cl2N4O
MOLECULAR WEIGHT: 475.3692
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC(=CC=C5)Cl.[Cl-]
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Product OPENEYE NAME: 2-(4-benzyloxyphenyl)-5-(3-chlorophenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium
IUPAC NAME: 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C26H20ClN4O+
MOLECULAR WEIGHT: 439.9162
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 2-(4-benzyloxyphenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CAS Name: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C32H25ClN4O
MOLECULAR WEIGHT: 517.0201
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6.[Cl-]
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Product OPENEYE NAME: 2-(4-benzyloxyphenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
CAS Name: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)tetrazol-3-ium
IUPAC NAME: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C32H25N4O+
MOLECULAR WEIGHT: 481.5671
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
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Product OPENEYE NAME: 5-(1-naphthyl)-2,3-diphenyl-tetrazol-2-ium chloride
CAS Name: 5-(1-naphthalenyl)-2,3-diphenyltetrazol-2-ium chloride
IUPAC NAME: 5-naphthalen-1-yl-2,3-diphenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 5-naphthalen-1-yl-2,3-diphenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C23H17ClN4
MOLECULAR WEIGHT: 384.86088
SMILES: C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54.[Cl-]
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Product OPENEYE NAME: 5-(1-naphthyl)-2,3-diphenyl-tetrazol-2-ium
CAS Name: 5-(1-naphthalenyl)-2,3-diphenyltetrazol-2-ium
IUPAC NAME: 5-naphthalen-1-yl-2,3-diphenyltetrazol-2-ium
SYSTEMATIC NAME: 5-naphthalen-1-yl-2,3-diphenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C23H17N4+
MOLECULAR WEIGHT: 349.40788
SMILES: C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54
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Product OPENEYE NAME: 8-chloro-1,4-dihydroquinazolin-2-amine
CAS Name: 8-chloro-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 8-chloro-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 8-chloranyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C8H8ClN3
MOLECULAR WEIGHT: 181.62222
SMILES: C1C2=C(C(=CC=C2)Cl)NC(=N1)N
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Product OPENEYE NAME: 8-methyl-1,4-dihydroquinazolin-2-amine
CAS Name: 8-methyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 8-methyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 8-methyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C9H11N3
MOLECULAR WEIGHT: 161.20374
SMILES: CC1=CC=CC2=C1NC(=NC2)N
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Product OPENEYE NAME: sodium 4-ethyl-4-isopentyl-2-[7-(methanesulfonamido)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-3-oxo-naphthalen-1-olate
CAS Name: sodium 4-ethyl-2-[7-(methanesulfonamido)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-(3-methylbutyl)-3-oxo-1-naphthalenolate
IUPAC NAME: sodium 4-ethyl-2-[7-(methanesulfonamido)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-(3-methylbutyl)-3-oxonaphthalen-1-olate
SYSTEMATIC NAME: sodium 4-ethyl-4-(3-methylbutyl)-2-[7-(methylsulfonylamino)-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-3-oxidanylidene-naphthalen-1-olate
MOLECULAR FORMULA: C25H28N3NaO6S2
MOLECULAR WEIGHT: 553.62609
SMILES: CCC1(C2=CC=CC=C2C(=C(C1=O)C3=NS(=O)(=O)C4=C(N3)C=CC(=C4)NS(=O)(=O)C)[O-])CCC(C)C.[Na+]
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Product OPENEYE NAME: N-[3-(4-ethyl-4-isopentyl-1,3-dioxo-tetralin-2-ylidene)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
CAS Name: N-[3-[4-ethyl-4-(3-methylbutyl)-1,3-dioxo-2-naphthalenylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
IUPAC NAME: N-[3-[4-ethyl-4-(3-methylbutyl)-1,3-dioxonaphthalen-2-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
SYSTEMATIC NAME: N-[3-[4-ethyl-4-(3-methylbutyl)-1,3-bis(oxidanylidene)naphthalen-2-ylidene]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
MOLECULAR FORMULA: C25H29N3O6S2
MOLECULAR WEIGHT: 531.64426
SMILES: CCC1(C2=CC=CC=C2C(=O)C(=C3NC4=C(C=C(C=C4)NS(=O)(=O)C)S(=O)(=O)N3)C1=O)CCC(C)C
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Product OPENEYE NAME: (2S)-2-[(5Z)-5-[[4-[2-[2-[2-[4-[(Z)-[3-[(1S)-1-carboxy-2-phenyl-ethyl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[(5Z)-5-[[4-[2-[2-[2-[4-[(Z)-[3-[(1S)-1-carboxy-2-phenylethyl]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[(5Z)-5-[[4-[2-[2-[2-[4-[(Z)-[3-[(1S)-1-carboxy-2-phenylethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(5Z)-4-oxidanylidene-5-[[4-[2-[2-[2-[4-[(Z)-[4-oxidanylidene-3-[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin
MOLECULAR FORMULA: C44H40N2O10S4
MOLECULAR WEIGHT: 885.0558
SMILES: C1=CC=C(C=C1)C[C@H](N2C(=S)S/C(=C\C3=CC=C(C=C3)OCCOCCOCCOC4=CC=C(C=C4)/C=C/5\SC(=S)N(C5=O)[C@H](C(=O)O)CC6=CC=CC=C6)/C2=O)C(=O)O
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Product OPENEYE NAME: 7-methoxy-1,4-dihydroquinazolin-2-amine
CAS Name: 7-methoxy-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 7-methoxy-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 7-methoxy-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: COC1=CC2=C(CN=C(N2)N)C=C1
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Product OPENEYE NAME: 7-fluoro-1,4-dihydroquinazolin-2-amine
CAS Name: 7-fluoro-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 7-fluoro-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 7-fluoranyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C8H8FN3
MOLECULAR WEIGHT: 165.167623
SMILES: C1C2=C(C=C(C=C2)F)NC(=N1)N
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Product OPENEYE NAME: sodium 4-(3-cyclohexylpropyl)-2-[7-(methanesulfonamido)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-methyl-3-oxo-naphthalen-1-olate
CAS Name: sodium 4-(3-cyclohexylpropyl)-2-[7-(methanesulfonamido)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-methyl-3-oxo-1-naphthalenolate
IUPAC NAME: sodium 4-(3-cyclohexylpropyl)-2-[7-(methanesulfonamido)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-methyl-3-oxonaphthalen-1-olate
SYSTEMATIC NAME: sodium 4-(3-cyclohexylpropyl)-4-methyl-2-[7-(methylsulfonylamino)-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-3-oxidanylidene-naphthalen-1-olate
MOLECULAR FORMULA: C28H32N3NaO6S2
MOLECULAR WEIGHT: 593.68995
SMILES: CC1(C2=CC=CC=C2C(=C(C1=O)C3=NS(=O)(=O)C4=C(N3)C=CC(=C4)NS(=O)(=O)C)[O-])CCCC5CCCCC5.[Na+]
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Product OPENEYE NAME: N-[3-[4-(3-cyclohexylpropyl)-4-methyl-1,3-dioxo-tetralin-2-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
CAS Name: N-[3-[4-(3-cyclohexylpropyl)-4-methyl-1,3-dioxo-2-naphthalenylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
IUPAC NAME: N-[3-[4-(3-cyclohexylpropyl)-4-methyl-1,3-dioxonaphthalen-2-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
SYSTEMATIC NAME: N-[3-[4-(3-cyclohexylpropyl)-4-methyl-1,3-bis(oxidanylidene)naphthalen-2-ylidene]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide
MOLECULAR FORMULA: C28H33N3O6S2
MOLECULAR WEIGHT: 571.70812
SMILES: CC1(C2=CC=CC=C2C(=O)C(=C3NC4=C(C=C(C=C4)NS(=O)(=O)C)S(=O)(=O)N3)C1=O)CCCC5CCCCC5
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