Friday, June 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N,N-dimethyl-2-[4-[5-(4-pyridyl)oxazol-2-yl]phenoxy]acetamide
CAS Name: N,N-dimethyl-2-[4-(5-pyridin-4-yl-2-oxazolyl)phenoxy]acetamide
IUPAC NAME: N,N-dimethyl-2-[4-(5-pyridin-4-yl-1,3-oxazol-2-yl)phenoxy]acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(5-pyridin-4-yl-1,3-oxazol-2-yl)phenoxy]ethanamide
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: CN(C)C(=O)COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=NC=C3
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Product OPENEYE NAME: 5-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole
CAS Name: 5-[1-[(4-isothiocyanatophenyl)methyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole
IUPAC NAME: 5-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
SYSTEMATIC NAME: 5-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
MOLECULAR FORMULA: C23H18N3O2S+
MOLECULAR WEIGHT: 400.47292
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)N=C=S
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Product OPENEYE NAME: 1-[4-[[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea
CAS Name: 1-[4-[[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]methyl]phenyl]-3-propylthiourea
IUPAC NAME: 1-[4-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[4-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea
MOLECULAR FORMULA: C26H27N4O2S+
MOLECULAR WEIGHT: 459.58318
SMILES: CCCNC(=S)NC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole
CAS Name: 5-[1-(2-isothiocyanatoethyl)-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole
IUPAC NAME: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
SYSTEMATIC NAME: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
MOLECULAR FORMULA: C18H16N3O2S+
MOLECULAR WEIGHT: 338.40354
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCN=C=S
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Product OPENEYE NAME: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole
CAS Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole
IUPAC NAME: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
SYSTEMATIC NAME: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
MOLECULAR FORMULA: C24H20N3O3S+
MOLECULAR WEIGHT: 430.4989
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCOC4=CC=C(C=C4)N=C=S
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Product OPENEYE NAME: 1-[4-[2-[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]ethoxy]phenyl]-3-propyl-thiourea
CAS Name: 1-[4-[2-[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]ethoxy]phenyl]-3-propylthiourea
IUPAC NAME: 1-[4-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethoxy]phenyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[4-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethoxy]phenyl]-3-propyl-thiourea
MOLECULAR FORMULA: C27H29N4O3S+
MOLECULAR WEIGHT: 489.60916
SMILES: CCCNC(=S)NC1=CC=C(C=C1)OCC[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (2,5-dioxopyrrolidin-1-yl) 3-[[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate
CAS Name: 3-[[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]methyl]benzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
IUPAC NAME: (2,5-dioxopyrrolidin-1-yl) 3-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C27H22N3O6+
MOLECULAR WEIGHT: 484.48008
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4=CC=CC(=C4)C(=O)ON5C(=O)CCC5=O
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Product OPENEYE NAME: 1-[2-[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
CAS Name: 1-[2-[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]ethyl]pyrrole-2,5-dione
IUPAC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C21H18N3O4+
MOLECULAR WEIGHT: 376.38532
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCN4C(=O)C=CC4=O
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Product OPENEYE NAME: 1-[2-[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]-3-propylsulfanyl-pyrrolidine-2,5-dione
CAS Name: 1-[2-[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]ethyl]-3-(propylthio)pyrrolidine-2,5-dione
IUPAC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]-3-propylsulfanyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C24H26N3O4S+
MOLECULAR WEIGHT: 452.54594
SMILES: CCCSC1CC(=O)N(C1=O)CC[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 2-(2,5-dioxopyrrol-1-yl)ethyl trifluoromethanesulfonate
CAS Name: trifluoromethanesulfonic acid 2-(2,5-dioxo-1-pyrrolyl)ethyl ester
IUPAC NAME: 2-(2,5-dioxopyrrol-1-yl)ethyl trifluoromethanesulfonate
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C7H6F3NO5S
MOLECULAR WEIGHT: 273.18645
SMILES: C1=CC(=O)N(C1=O)CCOS(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: 4-[5-(4-pyridyl)-3H-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 4-(5-pyridin-4-yl-3H-oxazol-2-ylidene)-1-cyclohexa-2,5-dienone
IUPAC NAME: 4-(5-pyridin-4-yl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(5-pyridin-4-yl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC(=O)C=CC1=C2NC=C(O2)C3=CC=NC=C3
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Product OPENEYE NAME: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
CAS Name: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
IUPAC NAME: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
SYSTEMATIC NAME: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
MOLECULAR FORMULA: C9H10N4O3
MOLECULAR WEIGHT: 222.2007
SMILES: COC1=CC2=C(C=C1)NC(=C(N2)NO)N=O
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Product OPENEYE NAME: 6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
CAS Name: 6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
IUPAC NAME: 6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
SYSTEMATIC NAME: 6-methyl-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
MOLECULAR FORMULA: C9H6N4O2
MOLECULAR WEIGHT: 202.16954
SMILES: CC1=CC2=NC3=NO[N+](=C3N=C2C=C1)[O-]
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Product OPENEYE NAME: 6-chloro-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
CAS Name: 6-chloro-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
IUPAC NAME: 6-chloro-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
SYSTEMATIC NAME: 6-chloranyl-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
MOLECULAR FORMULA: C8H3ClN4O2
MOLECULAR WEIGHT: 222.58802
SMILES: C1=CC2=NC3=[N+](ON=C3N=C2C=C1Cl)[O-]
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Product OPENEYE NAME: 6-methoxy-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
CAS Name: 6-methoxy-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
IUPAC NAME: 6-methoxy-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
SYSTEMATIC NAME: 6-methoxy-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
MOLECULAR FORMULA: C9H6N4O3
MOLECULAR WEIGHT: 218.16894
SMILES: COC1=CC2=NC3=NO[N+](=C3N=C2C=C1)[O-]
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Product OPENEYE NAME: 6-methoxy-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
CAS Name: 6-methoxy-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
IUPAC NAME: 6-methoxy-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
SYSTEMATIC NAME: 6-methoxy-3-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
MOLECULAR FORMULA: C9H6N4O3
MOLECULAR WEIGHT: 218.16894
SMILES: COC1=CC2=NC3=[N+](ON=C3N=C2C=C1)[O-]
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Product OPENEYE NAME: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
CAS Name: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
IUPAC NAME: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
SYSTEMATIC NAME: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
MOLECULAR FORMULA: C9H6N4O2
MOLECULAR WEIGHT: 202.16954
SMILES: COC1=CC2=NC3=NON=C3N=C2C=C1
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23N4-
MOLECULAR WEIGHT: 319.42342
SMILES: CC/C/1=C/NC2=CC=CC=C2[N-]CCCNC3=CC=CC=C3N=C1
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Product OPENEYE NAME: 6,8,9,10,11,11a-hexahydrobenzothiopheno[3,2-b]quinolizin-12-one oxime
CAS Name: 6,8,9,10,11,11a-hexahydro-[1]benzothiolo[3,2-b]quinolizin-12-one oxime
IUPAC NAME: (NE)-N-(6,8,9,10,11,11a-hexahydro-[1]benzothiolo[3,2-b]quinolizin-12-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(6,8,9,10,11,11a-hexahydro-[1]benzothiolo[3,2-b]quinolizin-12-ylidene)hydroxylamine
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: C1CCN2CC3=C(C4=CC=CC=C4S3)/C(=N\O)/C2C1
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Product OPENEYE NAME: 2-chloro-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-one oxime
CAS Name: 2-chloro-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-one oxime
IUPAC NAME: (NE)-N-(2-chloro-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(2-chloranyl-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-ylidene)hydroxylamine
MOLECULAR FORMULA: C12H15ClN2OS
MOLECULAR WEIGHT: 270.7783
SMILES: CC1=C(SC\2=C1CN3CCCCC3/C2=N\O)Cl
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