Monday, May 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 4-[(Z)-[(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethoxy]iminomethyl]benzoate
CAS Name: 4-[(Z)-[(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]oxyiminomethyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(Z)-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]oxyiminomethyl]benzoate
SYSTEMATIC NAME: methyl 4-[(Z)-[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxyiminomethyl]benzoate
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: C[C@H](C(=O)NC1=CC=CC=C1SC)O/N=C\C2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: 4-[4-(2-methoxyethyl)phenoxy]-2-(4-pyridyl)quinazoline
CAS Name: 4-[4-(2-methoxyethyl)phenoxy]-2-pyridin-4-ylquinazoline
IUPAC NAME: 4-[4-(2-methoxyethyl)phenoxy]-2-pyridin-4-ylquinazoline
SYSTEMATIC NAME: 4-[4-(2-methoxyethyl)phenoxy]-2-pyridin-4-yl-quinazoline
MOLECULAR FORMULA: C22H19N3O2
MOLECULAR WEIGHT: 357.40516
SMILES: COCCC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
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Product OPENEYE NAME: N-methyl-N-(2-phenoxyethyl)-2-(4-pyridyl)quinazolin-4-amine
CAS Name: N-methyl-N-(2-phenoxyethyl)-2-pyridin-4-yl-4-quinazolinamine
IUPAC NAME: N-methyl-N-(2-phenoxyethyl)-2-pyridin-4-ylquinazolin-4-amine
SYSTEMATIC NAME: N-methyl-N-(2-phenoxyethyl)-2-pyridin-4-yl-quinazolin-4-amine
MOLECULAR FORMULA: C22H20N4O
MOLECULAR WEIGHT: 356.4204
SMILES: CN(CCOC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
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Product OPENEYE NAME: 2-[methyl-[2-(4-pyridyl)quinazolin-4-yl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-[methyl-(2-pyridin-4-yl-4-quinazolinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C25H25N5O
MOLECULAR WEIGHT: 411.4989
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)C
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Product OPENEYE NAME: N-(1H-indazol-5-yl)-2-(4-pyridyl)quinazolin-4-amine
CAS Name: N-(1H-indazol-5-yl)-2-pyridin-4-yl-4-quinazolinamine
IUPAC NAME: N-(1H-indazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SYSTEMATIC NAME: N-(1H-indazol-5-yl)-2-pyridin-4-yl-quinazolin-4-amine
MOLECULAR FORMULA: C20H14N6
MOLECULAR WEIGHT: 338.36536
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC5=C(C=C4)NN=C5
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Product OPENEYE NAME: 4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-(4-pyridyl)quinazoline
CAS Name: 4-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-2-pyridin-4-ylquinazoline
IUPAC NAME: 4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-pyridin-4-ylquinazoline
SYSTEMATIC NAME: 4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-pyridin-4-yl-quinazoline
MOLECULAR FORMULA: C22H17N7S
MOLECULAR WEIGHT: 411.48228
SMILES: CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5)C
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Product OPENEYE NAME: N-pyridin-1-ium-2-yl-N'-[2-(4-pyridyl)quinazolin-4-yl]ethane-1,2-diamine
CAS Name: N-(2-pyridin-1-iumyl)-N'-(2-pyridin-4-yl-4-quinazolinyl)ethane-1,2-diamine
IUPAC NAME: N-pyridin-1-ium-2-yl-N'-(2-pyridin-4-ylquinazolin-4-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N-pyridin-1-ium-2-yl-N'-(2-pyridin-4-ylquinazolin-4-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C20H19N6+
MOLECULAR WEIGHT: 343.40506
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NCCNC4=CC=CC=[NH+]4
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Product OPENEYE NAME: N-(2-pyridyl)-N'-[2-(4-pyridyl)quinazolin-4-yl]ethane-1,2-diamine
CAS Name: N-(2-pyridinyl)-N'-(2-pyridin-4-yl-4-quinazolinyl)ethane-1,2-diamine
IUPAC NAME: N-pyridin-2-yl-N'-(2-pyridin-4-ylquinazolin-4-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N-pyridin-2-yl-N'-(2-pyridin-4-ylquinazolin-4-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C20H18N6
MOLECULAR WEIGHT: 342.39712
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NCCNC4=CC=CC=N4
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Product OPENEYE NAME: 4-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-pyridyl)quinazoline
CAS Name: 4-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-pyridin-4-ylquinazoline
IUPAC NAME: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-4-ylquinazoline
SYSTEMATIC NAME: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-4-yl-quinazoline
MOLECULAR FORMULA: C23H17N7S
MOLECULAR WEIGHT: 423.49298
SMILES: C1CC1N2C(=NN=C2SC3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5)C6=CN=CC=C6
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Product OPENEYE NAME: 4-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-pyridyl)quinazoline
CAS Name: 4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-pyridin-4-ylquinazoline
IUPAC NAME: 4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-4-ylquinazoline
SYSTEMATIC NAME: 4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-4-yl-quinazoline
MOLECULAR FORMULA: C25H20N6OS
MOLECULAR WEIGHT: 452.5309
SMILES: COC1=CC=CC=C1C2=NN=C(N2CC=C)SC3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5
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Product OPENEYE NAME: (2S)-4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-ium-2-carboxamide
CAS Name: (2S)-4-(2-pyridin-4-yl-4-quinazolinyl)-2-piperazin-1-iumcarboxamide
IUPAC NAME: (2S)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-2-carboxamide
SYSTEMATIC NAME: (2S)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-2-carboxamide
MOLECULAR FORMULA: C18H19N6O+
MOLECULAR WEIGHT: 335.38306
SMILES: C1CN(C[C@H]([NH2+]1)C(=O)N)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
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Product OPENEYE NAME: (2S)-4-[2-(4-pyridyl)quinazolin-4-yl]piperazine-2-carboxamide
CAS Name: (2S)-4-(2-pyridin-4-yl-4-quinazolinyl)-2-piperazinecarboxamide
IUPAC NAME: (2S)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazine-2-carboxamide
SYSTEMATIC NAME: (2S)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazine-2-carboxamide
MOLECULAR FORMULA: C18H18N6O
MOLECULAR WEIGHT: 334.37512
SMILES: C1CN(C[C@H](N1)C(=O)N)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
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Product OPENEYE NAME: (2R)-4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-ium-2-carboxamide
CAS Name: (2R)-4-(2-pyridin-4-yl-4-quinazolinyl)-2-piperazin-1-iumcarboxamide
IUPAC NAME: (2R)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-2-carboxamide
SYSTEMATIC NAME: (2R)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-2-carboxamide
MOLECULAR FORMULA: C18H19N6O+
MOLECULAR WEIGHT: 335.38306
SMILES: C1CN(C[C@@H]([NH2+]1)C(=O)N)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
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Product OPENEYE NAME: (2R)-4-[2-(4-pyridyl)quinazolin-4-yl]piperazine-2-carboxamide
CAS Name: (2R)-4-(2-pyridin-4-yl-4-quinazolinyl)-2-piperazinecarboxamide
IUPAC NAME: (2R)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazine-2-carboxamide
SYSTEMATIC NAME: (2R)-4-(2-pyridin-4-ylquinazolin-4-yl)piperazine-2-carboxamide
MOLECULAR FORMULA: C18H18N6O
MOLECULAR WEIGHT: 334.37512
SMILES: C1CN(C[C@@H](N1)C(=O)N)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
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Product OPENEYE NAME: methyl (2S)-2-(4-fluorophenyl)-2-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetate
CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazin-1-iumyl]acetic acid methyl ester
IUPAC NAME: methyl (2S)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetate
SYSTEMATIC NAME: methyl (2S)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanoate
MOLECULAR FORMULA: C26H25FN5O2+
MOLECULAR WEIGHT: 458.507403
SMILES: COC(=O)[C@H](C1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5
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Product OPENEYE NAME: methyl (2S)-2-(4-fluorophenyl)-2-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-yl]acetate
CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazinyl]acetic acid methyl ester
IUPAC NAME: methyl (2S)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]acetate
SYSTEMATIC NAME: methyl (2S)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]ethanoate
MOLECULAR FORMULA: C26H24FN5O2
MOLECULAR WEIGHT: 457.499463
SMILES: COC(=O)[C@H](C1=CC=C(C=C1)F)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5
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Product OPENEYE NAME: methyl (2R)-2-(4-fluorophenyl)-2-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetate
CAS Name: (2R)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazin-1-iumyl]acetic acid methyl ester
IUPAC NAME: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetate
SYSTEMATIC NAME: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanoate
MOLECULAR FORMULA: C26H25FN5O2+
MOLECULAR WEIGHT: 458.507403
SMILES: COC(=O)[C@@H](C1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5
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Product OPENEYE NAME: methyl (2R)-2-(4-fluorophenyl)-2-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-yl]acetate
CAS Name: (2R)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazinyl]acetic acid methyl ester
IUPAC NAME: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]acetate
SYSTEMATIC NAME: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]ethanoate
MOLECULAR FORMULA: C26H24FN5O2
MOLECULAR WEIGHT: 457.499463
SMILES: COC(=O)[C@@H](C1=CC=C(C=C1)F)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5
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Product OPENEYE NAME: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl] 4-amino-3-methylsulfanyl-benzoate
CAS Name: 4-amino-3-(methylthio)benzoic acid [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-amino-3-methylsulfanylbenzoate
SYSTEMATIC NAME: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-methylsulfanyl-benzoate
MOLECULAR FORMULA: C21H24N2O4S
MOLECULAR WEIGHT: 400.49126
SMILES: COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC(=C(C=C3)N)SC
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Product OPENEYE NAME: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C19H21N5O4
MOLECULAR WEIGHT: 383.40114
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4=CC=NN4C(C)C
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