Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindoline-1,3-dione
CAS Name: 2-[2-[(2-cyclopenta[d]imidazolylthio)methyl]phenyl]isoindole-1,3-dione
IUPAC NAME: 2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H13N3O2S
MOLECULAR WEIGHT: 371.41182
SMILES: C1=CC=C(C(=C1)CSC2=NC3=CC=CC3=N2)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: 1-(2-oxocyclohexyl)-1-(2-pyridyl)thiourea
CAS Name: 1-(2-oxocyclohexyl)-1-(2-pyridinyl)thiourea
IUPAC NAME: 1-(2-oxocyclohexyl)-1-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-(2-oxidanylidenecyclohexyl)-1-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: C1CCC(=O)C(C1)N(C2=CC=CC=N2)C(=S)N
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Product OPENEYE NAME: N-[2-(cyclopenta[d]imidazol-2-ylsulfinylmethyl)phenyl]acetamide
CAS Name: N-[2-(2-cyclopenta[d]imidazolylsulfinylmethyl)phenyl]acetamide
IUPAC NAME: N-[2-(cyclopenta[d]imidazol-2-ylsulfinylmethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[2-(cyclopenta[d]imidazol-2-ylsulfinylmethyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H13N3O2S
MOLECULAR WEIGHT: 299.34762
SMILES: CC(=O)NC1=CC=CC=C1CS(=O)C2=NC3=CC=CC3=N2
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Product OPENEYE NAME: N,N-dimethyl-2-[[3-(2-pyridyl)-2,3a,4,6a-tetrahydro-1H-cyclopenta[d]imidazol-2-yl]sulfinylmethyl]aniline
CAS Name: N,N-dimethyl-2-[[3-(2-pyridinyl)-2,3a,4,6a-tetrahydro-1H-cyclopenta[d]imidazol-2-yl]sulfinylmethyl]aniline
IUPAC NAME: N,N-dimethyl-2-[(3-pyridin-2-yl-2,3a,4,6a-tetrahydro-1H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-2-[(3-pyridin-2-yl-2,3a,4,6a-tetrahydro-1H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline
MOLECULAR FORMULA: C20H24N4OS
MOLECULAR WEIGHT: 368.49576
SMILES: CN(C)C1=CC=CC=C1CS(=O)C2NC3C=CCC3N2C4=CC=CC=N4
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Product OPENEYE NAME: 4-[chloro(phenyl)methyl]morpholine
CAS Name: 4-[chloro(phenyl)methyl]morpholine
IUPAC NAME: 4-[chloro(phenyl)methyl]morpholine
SYSTEMATIC NAME: 4-[chloranyl(phenyl)methyl]morpholine
MOLECULAR FORMULA: C11H14ClNO
MOLECULAR WEIGHT: 211.68796
SMILES: C1COCCN1C(C2=CC=CC=C2)Cl
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Product OPENEYE NAME: 1,3-bis(4-methoxyphenyl)pyrrolidin-2-one
CAS Name: 1,3-bis(4-methoxyphenyl)-2-pyrrolidinone
IUPAC NAME: 1,3-bis(4-methoxyphenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1,3-bis(4-methoxyphenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: COC1=CC=C(C=C1)C2CCN(C2=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-N-phenyl-pentanamide
CAS Name: 2-(4-methoxyphenyl)-N-phenylpentanamide
IUPAC NAME: 2-(4-methoxyphenyl)-N-phenylpentanamide
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-N-phenyl-pentanamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CCCC(C1=CC=C(C=C1)OC)C(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: hexoxycyclooctadecane
CAS Name: hexoxycyclooctadecane
IUPAC NAME: hexoxycyclooctadecane
SYSTEMATIC NAME: hexoxycyclooctadecane
MOLECULAR FORMULA: C24H48O
MOLECULAR WEIGHT: 352.63732
SMILES: CCCCCCOC1CCCCCCCCCCCCCCCCC1
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Product OPENEYE NAME: N-[1-(4-chlorophenyl)pentyl]aniline
CAS Name: N-[1-(4-chlorophenyl)pentyl]aniline
IUPAC NAME: N-[1-(4-chlorophenyl)pentyl]aniline
SYSTEMATIC NAME: N-[1-(4-chlorophenyl)pentyl]aniline
MOLECULAR FORMULA: C17H20ClN
MOLECULAR WEIGHT: 273.8004
SMILES: CCCCC(C1=CC=C(C=C1)Cl)NC2=CC=CC=C2
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Product OPENEYE NAME: N-ethyl-N-(1-naphthyl)-3,5-dinitro-benzamide
CAS Name: N-ethyl-N-(1-naphthalenyl)-3,5-dinitrobenzamide
IUPAC NAME: N-ethyl-N-naphthalen-1-yl-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-ethyl-N-naphthalen-1-yl-3,5-dinitro-benzamide
MOLECULAR FORMULA: C19H15N3O5
MOLECULAR WEIGHT: 365.3395
SMILES: CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-fluoro-4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amine
CAS Name: N-fluoro-4-methyl-N-phenyl-6-prop-1-ynyl-2-pyrimidinamine
IUPAC NAME: N-fluoro-4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
SYSTEMATIC NAME: N-fluoranyl-4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amine
MOLECULAR FORMULA: C14H12FN3
MOLECULAR WEIGHT: 241.263583
SMILES: CC#CC1=CC(=NC(=N1)N(C2=CC=CC=C2)F)C
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Product OPENEYE NAME: ethoxymethyl-methoxy-(4-methyl-6-prop-1-ynyl-pyrimidin-2-yl)-phenyl-ammonium
CAS Name: ethoxymethyl-methoxy-(4-methyl-6-prop-1-ynyl-2-pyrimidinyl)-phenylammonium
IUPAC NAME: ethoxymethyl-methoxy-(4-methyl-6-prop-1-ynylpyrimidin-2-yl)-phenylazanium
SYSTEMATIC NAME: ethoxymethyl-methoxy-(4-methyl-6-prop-1-ynyl-pyrimidin-2-yl)-phenyl-azanium
MOLECULAR FORMULA: C18H22N3O2+
MOLECULAR WEIGHT: 312.38618
SMILES: CCOC[N+](C1=CC=CC=C1)(C2=NC(=CC(=N2)C)C#CC)OC
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Product OPENEYE NAME: 1-[butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CAS Name: 1-[butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one
IUPAC NAME: 1-[butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SYSTEMATIC NAME: 1-[butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C19H34O2Si
MOLECULAR WEIGHT: 322.55756
SMILES: CCCC[Si](C)(C)OC(C1=C(CCCC1(C)C)C)C(=O)C=C
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Product OPENEYE NAME: 8-(2,2,6-trimethylcyclohexyl)oct-7-yne-1,4,5,6-tetrol
CAS Name: 8-(2,2,6-trimethylcyclohexyl)-7-octyne-1,4,5,6-tetrol
IUPAC NAME: 8-(2,2,6-trimethylcyclohexyl)oct-7-yne-1,4,5,6-tetrol
SYSTEMATIC NAME: 8-(2,2,6-trimethylcyclohexyl)oct-7-yne-1,4,5,6-tetrol
MOLECULAR FORMULA: C17H30O4
MOLECULAR WEIGHT: 298.4177
SMILES: CC1CCCC(C1C#CC(C(C(CCCO)O)O)O)(C)C
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Product OPENEYE NAME: (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-(6,6-dimethylcyclohexen-1-yl)-2-methyl-pent-1-en-3-one
CAS Name: (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-(6,6-dimethyl-1-cyclohexenyl)-2-methyl-1-penten-3-one
IUPAC NAME: (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-(6,6-dimethylcyclohexen-1-yl)-2-methylpent-1-en-3-one
SYSTEMATIC NAME: (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-(6,6-dimethylcyclohexen-1-yl)-2-methyl-pent-1-en-3-one
MOLECULAR FORMULA: C20H36O2Si
MOLECULAR WEIGHT: 336.58414
SMILES: CC(C(=O)/C(=C\C1=CCCCC1(C)C)/C)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: 8-(2,2,6-trimethylcyclohexyl)oct-7-yne-1,5,6-triol
CAS Name: 8-(2,2,6-trimethylcyclohexyl)-7-octyne-1,5,6-triol
IUPAC NAME: 8-(2,2,6-trimethylcyclohexyl)oct-7-yne-1,5,6-triol
SYSTEMATIC NAME: 8-(2,2,6-trimethylcyclohexyl)oct-7-yne-1,5,6-triol
MOLECULAR FORMULA: C17H30O3
MOLECULAR WEIGHT: 282.4183
SMILES: CC1CCCC(C1C#CC(C(CCCCO)O)O)(C)C
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Product OPENEYE NAME: 1-(2,5,5-trimethylcyclopenten-1-yl)but-3-yne-1,2-diol
CAS Name: 1-(2,5,5-trimethyl-1-cyclopentenyl)-3-butyne-1,2-diol
IUPAC NAME: 1-(2,5,5-trimethylcyclopenten-1-yl)but-3-yne-1,2-diol
SYSTEMATIC NAME: 1-(2,5,5-trimethylcyclopenten-1-yl)but-3-yne-1,2-diol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC1=C(C(CC1)(C)C)C(C(C#C)O)O
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Product OPENEYE NAME: 1-[3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one
CAS Name: 1-[3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3-buten-2-one
IUPAC NAME: 1-[3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one
SYSTEMATIC NAME: 1-[3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one
MOLECULAR FORMULA: C19H34O3Si
MOLECULAR WEIGHT: 338.55696
SMILES: CC1(CC(CC2(C1(O2)CC(=O)C=C)C)O[Si](C)(C)C(C)(C)C)C
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Product OPENEYE NAME: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one
CAS Name: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)-3-buten-2-one
IUPAC NAME: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-1,4-bis(oxidanyl)-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: CC1CCCC(C1C(C(=O)/C=C/O)O)(C)C
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Product OPENEYE NAME: 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-cyclohexen-1-yl]but-3-en-2-ol
CAS Name: 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-1-cyclohexenyl]-3-buten-2-ol
IUPAC NAME: 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-ol
SYSTEMATIC NAME: 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-cyclohexen-1-yl]but-3-en-2-ol
MOLECULAR FORMULA: C19H36O2Si
MOLECULAR WEIGHT: 324.57344
SMILES: CC1=C(C(CC(C1)O[Si](C)(C)C(C)(C)C)(C)C)CC(C=C)O
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