Saturday, July 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-bromo-2-thienyl)ethanone oxime
CAS Name: 1-(4-bromo-2-thiophenyl)ethanone oxime
IUPAC NAME: (NZ)-N-[1-(4-bromothiophen-2-yl)ethylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[1-(4-bromanylthiophen-2-yl)ethylidene]hydroxylamine
MOLECULAR FORMULA: C6H6BrNOS
MOLECULAR WEIGHT: 220.08694
SMILES: C/C(=N/O)/C1=CC(=CS1)Br
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Product OPENEYE NAME: N-(4-bromo-2-thienyl)acetamide
CAS Name: N-(4-bromo-2-thiophenyl)acetamide
IUPAC NAME: N-(4-bromothiophen-2-yl)acetamide
SYSTEMATIC NAME: N-(4-bromanylthiophen-2-yl)ethanamide
MOLECULAR FORMULA: C6H6BrNOS
MOLECULAR WEIGHT: 220.08694
SMILES: CC(=O)NC1=CC(=CS1)Br
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Product OPENEYE NAME: 4-bromo-N-methyl-thiophene-2-carboxamide
CAS Name: 4-bromo-N-methyl-2-thiophenecarboxamide
IUPAC NAME: 4-bromo-N-methylthiophene-2-carboxamide
SYSTEMATIC NAME: 4-bromanyl-N-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C6H6BrNOS
MOLECULAR WEIGHT: 220.08694
SMILES: CNC(=O)C1=CC(=CS1)Br
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Product OPENEYE NAME: 5-bromo-N-methyl-thiophene-2-carboxamide
CAS Name: 5-bromo-N-methyl-2-thiophenecarboxamide
IUPAC NAME: 5-bromo-N-methylthiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C6H6BrNOS
MOLECULAR WEIGHT: 220.08694
SMILES: CNC(=O)C1=CC=C(S1)Br
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Product OPENEYE NAME: ethyl 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxo-propanoate
CAS Name: 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoic acid ethyl ester
IUPAC NAME: ethyl 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoate
SYSTEMATIC NAME: ethyl 3-(6-azanyl-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxidanylidene-propanoate
MOLECULAR FORMULA: C18H20N3O3+
MOLECULAR WEIGHT: 326.3697
SMILES: CCOC(=O)C(=O)CN1C2=C(C[N+]3=CC=CC3=C1N)C=C(C=C2)C
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Product OPENEYE NAME: 3-nitroso-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CAS Name: 3-nitroso-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
IUPAC NAME: 3-nitroso-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SYSTEMATIC NAME: 3-nitroso-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
MOLECULAR FORMULA: C11H9N3O2
MOLECULAR WEIGHT: 215.20806
SMILES: C1CN2C(=C1N=O)NC3=CC=CC=C3C2=O
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Product OPENEYE NAME: [3-[(dimethylamino)methyl]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-yl]methyl acetate
CAS Name: acetic acid [3-[(dimethylamino)methyl]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-yl]methyl ester
IUPAC NAME: [3-[(dimethylamino)methyl]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-yl]methyl acetate
SYSTEMATIC NAME: [3-[(dimethylamino)methyl]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-3-yl]methyl ethanoate
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CC(=O)OCC1(CCN2C1=NC3=CC=CC=C3C2=O)CN(C)C
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Product OPENEYE NAME: N-(cyclopentylideneamino)quinolin-2-amine
CAS Name: N-(cyclopentylideneamino)-2-quinolinamine
IUPAC NAME: N-(cyclopentylideneamino)quinolin-2-amine
SYSTEMATIC NAME: N-(cyclopentylideneamino)quinolin-2-amine
MOLECULAR FORMULA: C14H15N3
MOLECULAR WEIGHT: 225.289
SMILES: C1CCC(=NNC2=NC3=CC=CC=C3C=C2)C1
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Product OPENEYE NAME: N-[(Z)-(1-methyl-2-piperidylidene)amino]aniline
CAS Name: N-[(Z)-(1-methyl-2-piperidinylidene)amino]aniline
IUPAC NAME: N-[(Z)-(1-methylpiperidin-2-ylidene)amino]aniline
SYSTEMATIC NAME: N-[(Z)-(1-methylpiperidin-2-ylidene)amino]aniline
MOLECULAR FORMULA: C12H17N3
MOLECULAR WEIGHT: 203.28348
SMILES: CN\1CCCC/C1=N/NC2=CC=CC=C2
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Product OPENEYE NAME: N-[(Z)-(1-methyl-2-piperidylidene)amino]pyridin-2-amine
CAS Name: N-[(Z)-(1-methyl-2-piperidinylidene)amino]-2-pyridinamine
IUPAC NAME: N-[(Z)-(1-methylpiperidin-2-ylidene)amino]pyridin-2-amine
SYSTEMATIC NAME: N-[(Z)-(1-methylpiperidin-2-ylidene)amino]pyridin-2-amine
MOLECULAR FORMULA: C11H16N4
MOLECULAR WEIGHT: 204.27154
SMILES: CN\1CCCC/C1=N/NC2=CC=CC=N2
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Product OPENEYE NAME: N-[(Z)-(1-methyl-2-piperidylidene)amino]quinolin-2-amine
CAS Name: N-[(Z)-(1-methyl-2-piperidinylidene)amino]-2-quinolinamine
IUPAC NAME: N-[(Z)-(1-methylpiperidin-2-ylidene)amino]quinolin-2-amine
SYSTEMATIC NAME: N-[(Z)-(1-methylpiperidin-2-ylidene)amino]quinolin-2-amine
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: CN\1CCCC/C1=N/NC2=NC3=CC=CC=C3C=C2
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Product OPENEYE NAME: (3E)-4-methyl-3-(nitrosomethylene)-1,2,5-thiadiazole
CAS Name: (3E)-4-methyl-3-(nitrosomethylidene)-1,2,5-thiadiazole
IUPAC NAME: (3E)-4-methyl-3-(nitrosomethylidene)-1,2,5-thiadiazole
SYSTEMATIC NAME: (3E)-4-methyl-3-(nitrosomethylidene)-1,2,5-thiadiazole
MOLECULAR FORMULA: C4H5N3OS
MOLECULAR WEIGHT: 143.167
SMILES: CC\1=NSN/C1=C/N=O
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Product OPENEYE NAME: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CAS Name: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
IUPAC NAME: 1-(7-hydroxy-6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SYSTEMATIC NAME: 1-(6-nitro-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
MOLECULAR FORMULA: C11H12N2O4
MOLECULAR WEIGHT: 236.22398
SMILES: CC(=O)N1CCC2=CC(=C(C=C2C1)O)[N+](=O)[O-]
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Product OPENEYE NAME: (Z,3E)-3-(acetylhydrazono)-1-methoxy-2-nitro-prop-1-en-1-olate
CAS Name: (Z,3E)-3-(acetylhydrazinylidene)-1-methoxy-2-nitro-1-propen-1-olate
IUPAC NAME: (Z,3E)-3-(acetylhydrazinylidene)-1-methoxy-2-nitroprop-1-en-1-olate
SYSTEMATIC NAME: (Z,3E)-3-(ethanoylhydrazinylidene)-1-methoxy-2-nitro-prop-1-en-1-olate
MOLECULAR FORMULA: C6H8N3O5-
MOLECULAR WEIGHT: 202.14482
SMILES: CC(=O)N/N=C/C(=C(\[O-])/OC)/[N+](=O)[O-]
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Product OPENEYE NAME: (Z,3E)-3-(benzoylhydrazono)-1-methoxy-2-nitro-prop-1-en-1-olate
CAS Name: (Z,3E)-3-(benzoylhydrazinylidene)-1-methoxy-2-nitro-1-propen-1-olate
IUPAC NAME: (Z,3E)-3-(benzoylhydrazinylidene)-1-methoxy-2-nitroprop-1-en-1-olate
SYSTEMATIC NAME: (Z,3E)-1-methoxy-2-nitro-3-(phenylcarbonylhydrazinylidene)prop-1-en-1-olate
MOLECULAR FORMULA: C11H10N3O5-
MOLECULAR WEIGHT: 264.2142
SMILES: CO/C(=C(/C=N/NC(=O)C1=CC=CC=C1)\[N+](=O)[O-])/[O-]
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Product OPENEYE NAME: 1-[3-[2-(1-acetylindol-3-yl)-1,3-dithiolan-2-yl]indol-1-yl]ethanone
CAS Name: 1-[3-[2-(1-acetyl-3-indolyl)-1,3-dithiolan-2-yl]-1-indolyl]ethanone
IUPAC NAME: 1-[3-[2-(1-acetylindol-3-yl)-1,3-dithiolan-2-yl]indol-1-yl]ethanone
SYSTEMATIC NAME: 1-[3-[2-(1-ethanoylindol-3-yl)-1,3-dithiolan-2-yl]indol-1-yl]ethanone
MOLECULAR FORMULA: C23H20N2O2S2
MOLECULAR WEIGHT: 420.5471
SMILES: CC(=O)N1C=C(C2=CC=CC=C21)C3(SCCS3)C4=CN(C5=CC=CC=C54)C(=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H9N5O3S
MOLECULAR WEIGHT: 291.28586
SMILES: CN1C2=C(C=C3C(=N2)NC(=S)NC3=O)C(=O)N(C1=O)C
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Product OPENEYE NAME: trimethyl-[(1-methyl-4,5-dihydro-2H-pyrazolo[3,4-d][1,3]diazepin-4-yl)oxy]silane
CAS Name: trimethyl-[(1-methyl-4,5-dihydro-2H-pyrazolo[3,4-d][1,3]diazepin-4-yl)oxy]silane
IUPAC NAME: trimethyl-[(1-methyl-4,5-dihydro-2H-pyrazolo[3,4-d][1,3]diazepin-4-yl)oxy]silane
SYSTEMATIC NAME: trimethyl-[(1-methyl-4,5-dihydro-2H-pyrazolo[3,4-d][1,3]diazepin-4-yl)oxy]silane
MOLECULAR FORMULA: C10H18N4OSi
MOLECULAR WEIGHT: 238.36162
SMILES: CN1C2=NC=NCC(C2=CN1)O[Si](C)(C)C
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