Friday, July 6, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: C1CC(=O)N2C1C/C(=N/O)/C3=C(C2)SC=C3
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MOLECULAR FORMULA: C11H11ClN2O2S
MOLECULAR WEIGHT: 270.73524
SMILES: C1CC(=O)N2C1C/C(=N\O)/C3=CSC(=C3C2)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H11ClN2O2S
MOLECULAR WEIGHT: 270.73524
SMILES: C1CC(=O)N2C1C/C(=N/O)/C3=CSC(=C3C2)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: C1CC(=O)N2C1CNC(=O)C3=C(C2)SC=C3
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Product OPENEYE NAME: 2-[5-oxo-1-(2-thienylmethyl)pyrrolidin-2-yl]acetyl chloride
CAS Name: 2-[5-oxo-1-(thiophen-2-ylmethyl)-2-pyrrolidinyl]acetyl chloride
IUPAC NAME: 2-[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]acetyl chloride
SYSTEMATIC NAME: 2-[5-oxidanylidene-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]ethanoyl chloride
MOLECULAR FORMULA: C11H12ClNO2S
MOLECULAR WEIGHT: 257.73648
SMILES: C1CC(=O)N(C1CC(=O)Cl)CC2=CC=CS2
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Product OPENEYE NAME: 2-[5-oxo-1-(3-thienylmethyl)pyrrolidin-2-yl]acetyl chloride
CAS Name: 2-[5-oxo-1-(3-thiophenylmethyl)-2-pyrrolidinyl]acetyl chloride
IUPAC NAME: 2-[5-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]acetyl chloride
SYSTEMATIC NAME: 2-[5-oxidanylidene-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]ethanoyl chloride
MOLECULAR FORMULA: C11H12ClNO2S
MOLECULAR WEIGHT: 257.73648
SMILES: C1CC(=O)N(C1CC(=O)Cl)CC2=CSC=C2
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Product OPENEYE NAME: 2-[1-[(2-chloro-3-thienyl)methyl]-5-oxo-pyrrolidin-2-yl]acetyl chloride
CAS Name: 2-[1-[(2-chloro-3-thiophenyl)methyl]-5-oxo-2-pyrrolidinyl]acetyl chloride
IUPAC NAME: 2-[1-[(2-chlorothiophen-3-yl)methyl]-5-oxopyrrolidin-2-yl]acetyl chloride
SYSTEMATIC NAME: 2-[1-[(2-chloranylthiophen-3-yl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethanoyl chloride
MOLECULAR FORMULA: C11H11Cl2NO2S
MOLECULAR WEIGHT: 292.18154
SMILES: C1CC(=O)N(C1CC(=O)Cl)CC2=C(SC=C2)Cl
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Product OPENEYE NAME: N,N'-bis(2-phenylethyl)methanediimine
CAS Name: N,N'-bis(2-phenylethyl)methanediimine
IUPAC NAME: N,N'-bis(2-phenylethyl)methanediimine
SYSTEMATIC NAME: N,N'-bis(2-phenylethyl)methanediimine
MOLECULAR FORMULA: C17H18N2
MOLECULAR WEIGHT: 250.33822
SMILES: C1=CC=C(C=C1)CCN=C=NCCC2=CC=CC=C2
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Product OPENEYE NAME: N,N'-bis[(4-methoxyphenyl)methyl]methanediimine
CAS Name: N,N'-bis[(4-methoxyphenyl)methyl]methanediimine
IUPAC NAME: N,N'-bis[(4-methoxyphenyl)methyl]methanediimine
SYSTEMATIC NAME: N,N'-bis[(4-methoxyphenyl)methyl]methanediimine
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: COC1=CC=C(C=C1)CN=C=NCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-allyl-N'-benzyl-methanediimine
CAS Name: N'-(phenylmethyl)-N-prop-2-enylmethanediimine
IUPAC NAME: N'-benzyl-N-prop-2-enylmethanediimine
SYSTEMATIC NAME: N'-(phenylmethyl)-N-prop-2-enyl-methanediimine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: C=CCN=C=NCC1=CC=CC=C1
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Product OPENEYE NAME: (Z)-4-bromo-N-isopropyl-N-(isopropylcarbamoyl)but-2-enamide
CAS Name: (Z)-4-bromo-N-[oxo-(propan-2-ylamino)methyl]-N-propan-2-yl-2-butenamide
IUPAC NAME: (Z)-4-bromo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide
SYSTEMATIC NAME: (Z)-4-bromanyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide
MOLECULAR FORMULA: C11H19BrN2O2
MOLECULAR WEIGHT: 291.18476
SMILES: CC(C)NC(=O)N(C(C)C)C(=O)/C=C\CBr
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Product OPENEYE NAME: 5-chloro-1,3-bis(cyclohexylmethyl)-5-methyl-hexahydropyrimidine-2,4-dione
CAS Name: 5-chloro-1,3-bis(cyclohexylmethyl)-5-methyl-1,3-diazinane-2,4-dione
IUPAC NAME: 5-chloro-1,3-bis(cyclohexylmethyl)-5-methyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-1,3-bis(cyclohexylmethyl)-5-methyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C19H31ClN2O2
MOLECULAR WEIGHT: 354.91464
SMILES: CC1(CN(C(=O)N(C1=O)CC2CCCCC2)CC3CCCCC3)Cl
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Product OPENEYE NAME: 1,3-dibenzyl-5-methyl-hexahydropyrimidine-2,4-dione
CAS Name: 5-methyl-1,3-bis(phenylmethyl)-1,3-diazinane-2,4-dione
IUPAC NAME: 1,3-dibenzyl-5-methyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-methyl-1,3-bis(phenylmethyl)-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CC1CN(C(=O)N(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3
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Product OPENEYE NAME: m-tolyl selenocyanate
CAS Name: selenocyanic acid (3-methylphenyl) ester
IUPAC NAME: (3-methylphenyl) selenocyanate
SYSTEMATIC NAME: (3-methylphenyl) selenocyanate
MOLECULAR FORMULA: C8H7NSe
MOLECULAR WEIGHT: 196.10788
SMILES: CC1=CC(=CC=C1)[Se]C#N
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Product OPENEYE NAME: 2-(isopropylideneamino)-1,1-dimethyl-guanidine
CAS Name: 1,1-dimethyl-2-(propan-2-ylideneamino)guanidine
IUPAC NAME: 1,1-dimethyl-2-(propan-2-ylideneamino)guanidine
SYSTEMATIC NAME: 1,1-dimethyl-2-(propan-2-ylideneamino)guanidine
MOLECULAR FORMULA: C6H14N4
MOLECULAR WEIGHT: 142.20216
SMILES: CC(=N/N=C(/N)\N(C)C)C
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Product OPENEYE NAME: 1,1-dimethyl-2-[(E)-1-methylpropylideneamino]guanidine
CAS Name: 2-[(E)-butan-2-ylideneamino]-1,1-dimethylguanidine
IUPAC NAME: 2-[(E)-butan-2-ylideneamino]-1,1-dimethylguanidine
SYSTEMATIC NAME: 2-[(E)-butan-2-ylideneamino]-1,1-dimethyl-guanidine
MOLECULAR FORMULA: C7H16N4
MOLECULAR WEIGHT: 156.22874
SMILES: CC/C(=N/N=C(/N)\N(C)C)/C
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Product OPENEYE NAME: 2-[(E)-1,2-dimethylpropylideneamino]-1,1-dimethyl-guanidine
CAS Name: 1,1-dimethyl-2-[(E)-3-methylbutan-2-ylideneamino]guanidine
IUPAC NAME: 1,1-dimethyl-2-[(E)-3-methylbutan-2-ylideneamino]guanidine
SYSTEMATIC NAME: 1,1-dimethyl-2-[(E)-3-methylbutan-2-ylideneamino]guanidine
MOLECULAR FORMULA: C8H18N4
MOLECULAR WEIGHT: 170.25532
SMILES: CC(C)/C(=N/N=C(/N)\N(C)C)/C
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Product OPENEYE NAME: 1,1-dimethyl-2-[(Z)-1,2,2-trimethylpropylideneamino]guanidine
CAS Name: 2-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1,1-dimethylguanidine
IUPAC NAME: 2-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1,1-dimethylguanidine
SYSTEMATIC NAME: 2-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1,1-dimethyl-guanidine
MOLECULAR FORMULA: C9H20N4
MOLECULAR WEIGHT: 184.2819
SMILES: C/C(=N/N=C(\N)/N(C)C)/C(C)(C)C
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Product OPENEYE NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(1-methylpropylidene)hydrazino]methylene]amino]pent-2-enoate
CAS Name: (Z)-3-[[[(2Z)-2-butan-2-ylidenehydrazinyl]-(dimethylamino)methylidene]amino]-2-cyano-2-pentenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-[[[(2Z)-2-butan-2-ylidenehydrazinyl]-(dimethylamino)methylidene]amino]-2-cyanopent-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-[[[(2Z)-2-butan-2-ylidenehydrazinyl]-(dimethylamino)methylidene]amino]-2-cyano-pent-2-enoate
MOLECULAR FORMULA: C15H25N5O2
MOLECULAR WEIGHT: 307.3913
SMILES: CC/C(=N\NC(=N/C(=C(/C#N)\C(=O)OCC)/CC)N(C)C)/C
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Product OPENEYE NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(1,2-dimethylpropylidene)hydrazino]methylene]amino]pent-2-enoate
CAS Name: (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(3-methylbutan-2-ylidene)hydrazinyl]methylidene]amino]-2-pentenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(3-methylbutan-2-ylidene)hydrazinyl]methylidene]amino]pent-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(3-methylbutan-2-ylidene)hydrazinyl]methylidene]amino]pent-2-enoate
MOLECULAR FORMULA: C16H27N5O2
MOLECULAR WEIGHT: 321.41788
SMILES: CC/C(=C(\C#N)/C(=O)OCC)/N=C(N/N=C(/C)\C(C)C)N(C)C
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Product OPENEYE NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(1,2,2-trimethylpropylidene)hydrazino]methylene]amino]pent-2-enoate
CAS Name: (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]methylidene]amino]-2-pentenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]methylidene]amino]pent-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-[[dimethylamino-[(2Z)-2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]methylidene]amino]pent-2-enoate
MOLECULAR FORMULA: C17H29N5O2
MOLECULAR WEIGHT: 335.44446
SMILES: CC/C(=C(\C#N)/C(=O)OCC)/N=C(N/N=C(/C)\C(C)(C)C)N(C)C
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Product OPENEYE NAME: 4-ethyl-1-methyl-2-[(2Z)-2-(1-methylpropylidene)hydrazino]-6-oxo-pyrimidine-5-carbonitrile
CAS Name: 2-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-ethyl-1-methyl-6-oxo-5-pyrimidinecarbonitrile
IUPAC NAME: 2-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-ethyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-ethyl-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H17N5O
MOLECULAR WEIGHT: 247.29628
SMILES: CCC1=C(C(=O)N(C(=N1)N/N=C(/C)\CC)C)C#N
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Product OPENEYE NAME: 4-ethyl-1-methyl-6-oxo-2-[(2Z)-2-(1,2,2-trimethylpropylidene)hydrazino]pyrimidine-5-carbonitrile
CAS Name: 2-[(2Z)-2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]-4-ethyl-1-methyl-6-oxo-5-pyrimidinecarbonitrile
IUPAC NAME: 2-[(2Z)-2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]-4-ethyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2-[(2Z)-2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]-4-ethyl-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C14H21N5O
MOLECULAR WEIGHT: 275.34944
SMILES: CCC1=C(C(=O)N(C(=N1)N/N=C(/C)\C(C)(C)C)C)C#N
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Product OPENEYE NAME: 1,3,5-trimethyl-4-[(Z)-2-phenylprop-1-enyl]pyrazole
CAS Name: 1,3,5-trimethyl-4-[(Z)-2-phenylprop-1-enyl]pyrazole
IUPAC NAME: 1,3,5-trimethyl-4-[(Z)-2-phenylprop-1-enyl]pyrazole
SYSTEMATIC NAME: 1,3,5-trimethyl-4-[(Z)-2-phenylprop-1-enyl]pyrazole
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CC1=C(C(=NN1C)C)/C=C(/C)\C2=CC=CC=C2
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