Thursday, March 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-methyl-1-(2-morpholinoethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CAS Name: 3-methyl-1-[2-(4-morpholinyl)ethylamino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
IUPAC NAME: 3-methyl-1-(2-morpholin-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-(2-morpholin-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
MOLECULAR FORMULA: C19H22N5O+
MOLECULAR WEIGHT: 336.41088
SMILES: CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCN4CCOCC4
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MOLECULAR FORMULA: C21H17N4+
MOLECULAR WEIGHT: 325.38648
SMILES: C1CC2=C(C3=[N+](C4=CC=CC=C4N3)C(=C2C1)NC5=CC=CC=C5)C#N
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Product OPENEYE NAME: 2-ethyl-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CAS Name: 2-ethyl-3-methyl-1-(2-methyl-1-imidazolyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
IUPAC NAME: 2-ethyl-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
SYSTEMATIC NAME: 2-ethyl-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
MOLECULAR FORMULA: C19H18N5+
MOLECULAR WEIGHT: 316.37972
SMILES: CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4C=CN=C4C
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Product OPENEYE NAME: 2-ethyl-3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CAS Name: 2-ethyl-3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
IUPAC NAME: 2-ethyl-3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
SYSTEMATIC NAME: 2-ethyl-3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
MOLECULAR FORMULA: C19H19N5+2
MOLECULAR WEIGHT: 317.38766
SMILES: CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)[N+]4=C(NC=C4)C
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Product OPENEYE NAME: (2,4-dimethoxyphenyl)-(4-fluorophenyl)sulfonyl-azanide
CAS Name: (2,4-dimethoxyphenyl)-(4-fluorophenyl)sulfonylazanide
IUPAC NAME: (2,4-dimethoxyphenyl)-(4-fluorophenyl)sulfonylazanide
SYSTEMATIC NAME: (2,4-dimethoxyphenyl)-(4-fluorophenyl)sulfonyl-azanide
MOLECULAR FORMULA: C14H13FNO4S-
MOLECULAR WEIGHT: 310.320723
SMILES: COC1=CC(=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)F)OC
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Product OPENEYE NAME: 3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CAS Name: 3-methyl-1-(2-methyl-1-imidazolyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
IUPAC NAME: 3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
MOLECULAR FORMULA: C17H14N5+
MOLECULAR WEIGHT: 288.32656
SMILES: CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4C=CN=C4C
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Product OPENEYE NAME: 3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CAS Name: 3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
IUPAC NAME: 3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-(2-methyl-1H-imidazol-3-ium-3-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
MOLECULAR FORMULA: C17H15N5+2
MOLECULAR WEIGHT: 289.3345
SMILES: CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)[N+]4=C(NC=C4)C
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Product OPENEYE NAME: ethyl 4-[2-[2-(benzylamino)-1-(benzylcarbamoyl)-2-oxo-ethylidene]hydrazino]-1H-imidazole-5-carboxylate
CAS Name: 4-[2-[1,3-dioxo-1,3-bis[(phenylmethyl)amino]propan-2-ylidene]hydrazinyl]-1H-imidazole-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-[1,3-bis(benzylamino)-1,3-dioxopropan-2-ylidene]hydrazinyl]-1H-imidazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-[1,3-bis(oxidanylidene)-1,3-bis[(phenylmethyl)amino]propan-2-ylidene]hydrazinyl]-1H-imidazole-5-carboxylate
MOLECULAR FORMULA: C23H24N6O4
MOLECULAR WEIGHT: 448.47446
SMILES: CCOC(=O)C1=C(N=CN1)NN=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 1-(5-nitro-1H-imidazol-4-yl)piperidine
CAS Name: 1-(5-nitro-1H-imidazol-4-yl)piperidine
IUPAC NAME: 1-(5-nitro-1H-imidazol-4-yl)piperidine
SYSTEMATIC NAME: 1-(5-nitro-1H-imidazol-4-yl)piperidine
MOLECULAR FORMULA: C8H12N4O2
MOLECULAR WEIGHT: 196.20648
SMILES: C1CCN(CC1)C2=C(NC=N2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-methyl-4-(5-nitro-1H-imidazol-4-yl)piperazine
CAS Name: 1-methyl-4-(5-nitro-1H-imidazol-4-yl)piperazine
IUPAC NAME: 1-methyl-4-(5-nitro-1H-imidazol-4-yl)piperazine
SYSTEMATIC NAME: 1-methyl-4-(5-nitro-1H-imidazol-4-yl)piperazine
MOLECULAR FORMULA: C8H13N5O2
MOLECULAR WEIGHT: 211.22112
SMILES: CN1CCN(CC1)C2=C(NC=N2)[N+](=O)[O-]
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Product OPENEYE NAME: 5-[(3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol
CAS Name: 5-[(3-methoxyphenyl)-[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
IUPAC NAME: 5-[(3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SYSTEMATIC NAME: 5-[(3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
MOLECULAR FORMULA: C23H25N5O3S
MOLECULAR WEIGHT: 451.5413
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C(C3=CC(=CC=C3)OC)C4=C(N5C(=NC=N5)S4)O
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Product OPENEYE NAME: 6-[[5-butylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
CAS Name: 6-[[5-(butylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
IUPAC NAME: 6-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H21N5O2S
MOLECULAR WEIGHT: 371.45664
SMILES: CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)CC3=CC(=O)NC(=O)N3
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