Friday, July 6, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[bromo(phenyl)methyl]-6,8-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CAS Name: 3-[bromo(phenyl)methyl]-6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC NAME: 3-[bromo(phenyl)methyl]-6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 3-[bromanyl(phenyl)methyl]-6,8-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C14H12BrN5O2
MOLECULAR WEIGHT: 362.18138
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=C(N=N2)C(C3=CC=CC=C3)Br
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Product OPENEYE NAME: methyl 3-methoxy-2-phenyl-imidazo[1,2-a]pyridine-5-carboxylate
CAS Name: 3-methoxy-2-phenyl-5-imidazo[1,2-a]pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate
SYSTEMATIC NAME: methyl 3-methoxy-2-phenyl-imidazo[1,2-a]pyridine-5-carboxylate
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: COC1=C(N=C2N1C(=CC=C2)C(=O)OC)C3=CC=CC=C3
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Product OPENEYE NAME: 3a,6a-bis(4-bromophenyl)-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CAS Name: 3a,6a-bis(4-bromophenyl)-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
IUPAC NAME: 3a,6a-bis(4-bromophenyl)-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SYSTEMATIC NAME: 3a,6a-bis(4-bromophenyl)-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
MOLECULAR FORMULA: C16H12Br2N4O2
MOLECULAR WEIGHT: 452.10008
SMILES: C1=CC(=CC=C1C23C(NC(=O)N2)(NC(=O)N3)C4=CC=C(C=C4)Br)Br
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Product OPENEYE NAME: 1-[2,7-bis(dimethylamino)-4H-1,3-diazepin-5-yl]-3-phenyl-urea
CAS Name: 1-[2,7-bis(dimethylamino)-4H-1,3-diazepin-5-yl]-3-phenylurea
IUPAC NAME: 1-[2,7-bis(dimethylamino)-4H-1,3-diazepin-5-yl]-3-phenylurea
SYSTEMATIC NAME: 1-[2,7-bis(dimethylamino)-4H-1,3-diazepin-5-yl]-3-phenyl-urea
MOLECULAR FORMULA: C16H22N6O
MOLECULAR WEIGHT: 314.38548
SMILES: CN(C)C1=NC(=NCC(=C1)NC(=O)NC2=CC=CC=C2)N(C)C
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Product OPENEYE NAME: 1-[4-(dimethylamino)-2-methoxy-5H-1,3-diazepin-6-yl]-3-phenyl-urea
CAS Name: 1-[4-(dimethylamino)-2-methoxy-5H-1,3-diazepin-6-yl]-3-phenylurea
IUPAC NAME: 1-[4-(dimethylamino)-2-methoxy-5H-1,3-diazepin-6-yl]-3-phenylurea
SYSTEMATIC NAME: 1-[4-(dimethylamino)-2-methoxy-5H-1,3-diazepin-6-yl]-3-phenyl-urea
MOLECULAR FORMULA: C15H19N5O2
MOLECULAR WEIGHT: 301.34366
SMILES: CN(C)C1=NC(=NC=C(C1)NC(=O)NC2=CC=CC=C2)OC
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Product OPENEYE NAME: N-phenyl-N'-(tetrazolo[1,5-a]pyridin-7-yl)methanediamine
CAS Name: N-phenyl-N'-(7-tetrazolo[1,5-a]pyridinyl)methanediamine
IUPAC NAME: N-phenyl-N'-(tetrazolo[1,5-a]pyridin-7-yl)methanediamine
SYSTEMATIC NAME: N-phenyl-N'-([1,2,3,4]tetrazolo[1,5-a]pyridin-7-yl)methanediamine
MOLECULAR FORMULA: C12H12N6
MOLECULAR WEIGHT: 240.26388
SMILES: C1=CC=C(C=C1)NCNC2=CC3=NN=NN3C=C2
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Product OPENEYE NAME: ethyl (Z)-3-(1H-1,2,4-triazol-5-ylamino)-2-(1H-1,2,4-triazol-5-ylcarbamoyl)prop-2-enoate
CAS Name: (Z)-2-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-3-(1H-1,2,4-triazol-5-ylamino)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(1H-1,2,4-triazol-5-ylamino)-2-(1H-1,2,4-triazol-5-ylcarbamoyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(1H-1,2,4-triazol-5-ylamino)-2-(1H-1,2,4-triazol-5-ylcarbamoyl)prop-2-enoate
MOLECULAR FORMULA: C10H12N8O3
MOLECULAR WEIGHT: 292.25408
SMILES: CCOC(=O)/C(=C\NC1=NC=NN1)/C(=O)NC2=NC=NN2
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Product OPENEYE NAME: diethyl 2-[[(6-chloropyridazin-3-yl)amino]methylene]propanedioate
CAS Name: 2-[[(6-chloro-3-pyridazinyl)amino]methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[[(6-chloropyridazin-3-yl)amino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[(6-chloranylpyridazin-3-yl)amino]methylidene]propanedioate
MOLECULAR FORMULA: C12H14ClN3O4
MOLECULAR WEIGHT: 299.71026
SMILES: CCOC(=O)C(=CNC1=NN=C(C=C1)Cl)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[(pyrimidin-4-ylamino)methylene]propanedioate
CAS Name: 2-[(4-pyrimidinylamino)methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[(pyrimidin-4-ylamino)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[(pyrimidin-4-ylamino)methylidene]propanedioate
MOLECULAR FORMULA: C12H15N3O4
MOLECULAR WEIGHT: 265.2652
SMILES: CCOC(=O)C(=CNC1=NC=NC=C1)C(=O)OCC
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Product OPENEYE NAME: 4,7-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium
CAS Name: 4,7-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium
IUPAC NAME: 4,7-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium
SYSTEMATIC NAME: 4,7-dimethyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: CC1=CC=C(C2=[N+](ON=C12)[O-])C
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Product OPENEYE NAME: phenyl-(3,5,8-trimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)methanone
CAS Name: phenyl-(3,5,8-trimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)methanone
IUPAC NAME: phenyl-(3,5,8-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanone
SYSTEMATIC NAME: phenyl-(3,5,8-trimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)methanone
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CC1=C2C(=C(C=C1)C)[N+](=O)C(=C(N2[O-])C)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 5-methoxy-1-(methoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate
CAS Name: 5-methoxy-1-(methoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylic acid methyl ester
IUPAC NAME: methyl 5-methoxy-1-(methoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate
SYSTEMATIC NAME: methyl 5-methoxy-1-(methoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate
MOLECULAR FORMULA: C9H16NO4+
MOLECULAR WEIGHT: 202.22764
SMILES: COC[N+]1=C(CCC1C(=O)OC)OC
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Product OPENEYE NAME: 3-(o-tolyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CAS Name: 3-(2-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
IUPAC NAME: 3-(2-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SYSTEMATIC NAME: 3-(2-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
MOLECULAR FORMULA: C21H18N2O
MOLECULAR WEIGHT: 314.38042
SMILES: CC1=CC=CC=C1N2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4
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Product OPENEYE NAME: methyl (1Z)-N-(5-oxopyrrolidine-2-carbonyl)methanehydrazonate
CAS Name: (1Z)-N-[oxo-(5-oxo-2-pyrrolidinyl)methyl]methanehydrazonic acid methyl ester
IUPAC NAME: methyl (1Z)-N-(5-oxopyrrolidine-2-carbonyl)methanehydrazonate
SYSTEMATIC NAME: methyl (1Z)-N-(5-oxidanylidenepyrrolidin-2-yl)carbonylmethanehydrazonate
MOLECULAR FORMULA: C7H11N3O3
MOLECULAR WEIGHT: 185.18054
SMILES: CO/C=N\NC(=O)C1CCC(=O)N1
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Product OPENEYE NAME: methyl (1Z)-N-(5-oxopyrrolidine-2-carbonyl)ethanehydrazonate
CAS Name: (1Z)-N-[oxo-(5-oxo-2-pyrrolidinyl)methyl]ethanehydrazonic acid methyl ester
IUPAC NAME: methyl (1Z)-N-(5-oxopyrrolidine-2-carbonyl)ethanehydrazonate
SYSTEMATIC NAME: methyl (1Z)-N-(5-oxidanylidenepyrrolidin-2-yl)carbonylethanehydrazonate
MOLECULAR FORMULA: C8H13N3O3
MOLECULAR WEIGHT: 199.20712
SMILES: C/C(=N/NC(=O)C1CCC(=O)N1)/OC
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Product OPENEYE NAME: 4-butylpyrylium
CAS Name: 4-butylpyrylium
IUPAC NAME: 4-butylpyrylium
SYSTEMATIC NAME: 4-butylpyrylium
MOLECULAR FORMULA: C9H13O+
MOLECULAR WEIGHT: 137.19892
SMILES: CCCCC1=CC=[O+]C=C1
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Product OPENEYE NAME: 4-phenylpyrylium
CAS Name: 4-phenylpyrylium
IUPAC NAME: 4-phenylpyrylium
SYSTEMATIC NAME: 4-phenylpyrylium
MOLECULAR FORMULA: C11H9O+
MOLECULAR WEIGHT: 157.18856
SMILES: C1=CC=C(C=C1)C2=CC=[O+]C=C2
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Product OPENEYE NAME: 4-cyclopentyl-2H-pyran-1-ium
CAS Name: 4-cyclopentyl-2H-pyran-1-ium
IUPAC NAME: 4-cyclopentyl-2H-pyran-1-ium
SYSTEMATIC NAME: 4-cyclopentyl-2H-pyran-1-ium
MOLECULAR FORMULA: C10H15O+
MOLECULAR WEIGHT: 151.2255
SMILES: C1CCC(C1)C2=CC[OH+]C=C2
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Product OPENEYE NAME: 4-cyclopentyl-2H-pyran
CAS Name: 4-cyclopentyl-2H-pyran
IUPAC NAME: 4-cyclopentyl-2H-pyran
SYSTEMATIC NAME: 4-cyclopentyl-2H-pyran
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: C1CCC(C1)C2=CCOC=C2
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Product OPENEYE NAME: (2E,4E)-3-benzylnona-2,4-dienal
CAS Name: (2E,4E)-3-(phenylmethyl)nona-2,4-dienal
IUPAC NAME: (2E,4E)-3-benzylnona-2,4-dienal
SYSTEMATIC NAME: (2E,4E)-3-(phenylmethyl)nona-2,4-dienal
MOLECULAR FORMULA: C16H20O
MOLECULAR WEIGHT: 228.3294
SMILES: CCCC/C=C/C(=C/C=O)/CC1=CC=CC=C1
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Product OPENEYE NAME: (3aS,4R,6aS)-4-ethoxy-3-phenyl-3a,5,6,6a-tetrahydrophospholo[2,3-d]isoxazole 4-oxide
CAS Name: (3aS,4R,6aS)-4-ethoxy-3-phenyl-3a,5,6,6a-tetrahydrophospholo[2,3-d]isoxazole 4-oxide
IUPAC NAME: (3aS,4R,6aS)-4-ethoxy-3-phenyl-3a,5,6,6a-tetrahydrophospholo[2,3-d][1,2]oxazole 4-oxide
SYSTEMATIC NAME: (3aS,4R,6aS)-4-ethoxy-3-phenyl-3a,5,6,6a-tetrahydrophospholo[2,3-d][1,2]oxazole 4-oxide
MOLECULAR FORMULA: C13H16NO3P
MOLECULAR WEIGHT: 265.244801
SMILES: CCO[P@]1(=O)CC[C@H]2[C@@H]1C(=NO2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(2,4-dichlorophenyl)-N-methyl-methanimine oxide
CAS Name: 1-(2,4-dichlorophenyl)-N-methylmethanimine oxide
IUPAC NAME: 1-(2,4-dichlorophenyl)-N-methylmethanimine oxide
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-N-methyl-methanimine oxide
MOLECULAR FORMULA: C8H7Cl2NO
MOLECULAR WEIGHT: 204.05328
SMILES: C/[N+](=C\C1=C(C=C(C=C1)Cl)Cl)/[O-]
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Product OPENEYE NAME: N-methyl-1-(3-quinolyl)methanimine oxide
CAS Name: N-methyl-1-(3-quinolinyl)methanimine oxide
IUPAC NAME: N-methyl-1-quinolin-3-ylmethanimine oxide
SYSTEMATIC NAME: N-methyl-1-quinolin-3-yl-methanimine oxide
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C/[N+](=C/C1=CC2=CC=CC=C2N=C1)/[O-]
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