Saturday, July 28, 2012

http://ChemLookup.com Compounds




CAS RN: 17643-54-8
CAS Name: N-(methoxycarbonylamino)carbamic acid methyl ester
OPENEYE Name: methyl N-(methoxycarbonylamino)carbamate
IUPAC Name: methyl N-(methoxycarbonylamino)carbamate
SYSTEMATIC NAME: methyl N-(methoxycarbonylamino)carbamate
MOLECULAR FORMULA: C4H8N2O4
MOLECULAR WEIGHT: 148.11732
SMILES: COC(=O)NNC(=O)OC
Structure:

CAS RN: 33073-61-9
CAS Name: (1S,3R)-3-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,3R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexanecarboxylate
IUPAC Name: ethyl (1S,3R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,3R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C12H20ClN3O4
MOLECULAR WEIGHT: 305.7579
SMILES: CCOC(=O)[C@H]1CCC[C@H](C1)NC(=O)N(CCCl)N=O
Structure:

CAS RN: 33164-03-3
CAS Name: 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)urea
MOLECULAR FORMULA: C12H17ClN2O4
MOLECULAR WEIGHT: 288.72738
SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)NCCCl
Structure:

CAS RN: 14094-48-5
CAS Name: 7-cyclopentyl-4-pyrrolo[2,3-d]pyrimidinamine
OPENEYE Name: 7-cyclopentylpyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 7-cyclopentylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 7-cyclopentylpyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C11H14N4
MOLECULAR WEIGHT: 202.25566
SMILES: C1CCC(C1)N2C=CC3=C2N=CN=C3N
Structure:

CAS RN: 1731-61-9
CAS Name: 6-(4-morpholinyl)-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
OPENEYE Name: 6-morpholino-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
IUPAC Name: 6-morpholin-4-yl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
SYSTEMATIC NAME: 6-morpholin-4-yl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
MOLECULAR FORMULA: C11H19NO3S
MOLECULAR WEIGHT: 245.33846
SMILES: C1CCC2(CS(=O)(=O)C2C1)N3CCOCC3
Structure:

CAS RN: 16185-82-3
CAS Name: 2-[amino-[1-methyl-6-(5-nitro-2-furanyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethanol
OPENEYE Name: 2-[amino-[1-methyl-6-(5-nitro-2-furyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
IUPAC Name: 2-[amino-[1-methyl-6-(5-nitrofuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SYSTEMATIC NAME: 2-[azanyl-[1-methyl-6-(5-nitrofuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
MOLECULAR FORMULA: C12H13N7O4
MOLECULAR WEIGHT: 319.27612
SMILES: CN1C2=C(C=N1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)N
Structure:

CAS RN: 1785-13-3
CAS Name: 1-(4-bromophenyl)-2-triphenylphosphoranylideneethanone
OPENEYE Name: 1-(4-bromophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)ethanone
IUPAC Name: 1-(4-bromophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)ethanone
MOLECULAR FORMULA: C26H20BrOP
MOLECULAR WEIGHT: 459.314161
SMILES: C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 903-22-0
CAS Name: 2,4,6-tris(dimethoxyphosphoryl)-1,3,5-triazine
OPENEYE Name: 2,4,6-tris(dimethoxyphosphoryl)-1,3,5-triazine
IUPAC Name: 2,4,6-tris(dimethoxyphosphoryl)-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-tris(dimethoxyphosphoryl)-1,3,5-triazine
MOLECULAR FORMULA: C9H18N3O9P3
MOLECULAR WEIGHT: 405.175203
SMILES: COP(=O)(C1=NC(=NC(=N1)P(=O)(OC)OC)P(=O)(OC)OC)OC
Structure:

CAS RN: 13146-75-3
CAS Name: 8a-(phenylmethyl)-6,7-dihydro-1H-thiazolo[3,2-a][1,3,5]triazine-2,4-dione
OPENEYE Name: 8a-benzyl-6,7-dihydro-1H-thiazolo[3,2-a][1,3,5]triazine-2,4-dione
IUPAC Name: 8a-benzyl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
SYSTEMATIC NAME: 8a-(phenylmethyl)-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
MOLECULAR FORMULA: C12H13N3O2S
MOLECULAR WEIGHT: 263.31552
SMILES: C1CSC2(N1C(=O)NC(=O)N2)CC3=CC=CC=C3
Structure:

CAS RN: 13146-74-2
CAS Name: 8a-propan-2-yl-6,7-dihydro-1H-thiazolo[3,2-a][1,3,5]triazine-2,4-dione
OPENEYE Name: 8a-isopropyl-6,7-dihydro-1H-thiazolo[3,2-a][1,3,5]triazine-2,4-dione
IUPAC Name: 8a-propan-2-yl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
SYSTEMATIC NAME: 8a-propan-2-yl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
MOLECULAR FORMULA: C8H13N3O2S
MOLECULAR WEIGHT: 215.27272
SMILES: CC(C)C12NC(=O)NC(=O)N1CCS2
Structure:

CAS RN: 13146-73-1
CAS Name: 8a-methyl-6,7-dihydro-1H-thiazolo[3,2-a][1,3,5]triazine-2,4-dione
OPENEYE Name: 8a-methyl-6,7-dihydro-1H-thiazolo[3,2-a][1,3,5]triazine-2,4-dione
IUPAC Name: 8a-methyl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
SYSTEMATIC NAME: 8a-methyl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
MOLECULAR FORMULA: C6H9N3O2S
MOLECULAR WEIGHT: 187.21956
SMILES: CC12NC(=O)NC(=O)N1CCS2
Structure:

CAS RN: 4378-06-7
CAS Name: 2-[2-(2-pyridinyl)ethyl]-1H-pyridazine-3,6-dione
OPENEYE Name: 2-[2-(2-pyridyl)ethyl]-1H-pyridazine-3,6-dione
IUPAC Name: 2-(2-pyridin-2-ylethyl)-1H-pyridazine-3,6-dione
SYSTEMATIC NAME: 2-(2-pyridin-2-ylethyl)-1H-pyridazine-3,6-dione
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: C1=CC=NC(=C1)CCN2C(=O)C=CC(=O)N2
Structure:

CAS RN: 57797-97-4
CAS Name: 8-chloro-1H-quinolin-4-one
OPENEYE Name: 8-chloro-1H-quinolin-4-one
IUPAC Name: 8-chloro-1H-quinolin-4-one
SYSTEMATIC NAME: 8-chloranyl-1H-quinolin-4-one
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC2=C(C(=C1)Cl)NC=CC2=O
Structure:

CAS RN: 4093-89-4
CAS Name: N-methyl-5-nitro-2-pyridinamine
OPENEYE Name: N-methyl-5-nitro-pyridin-2-amine
IUPAC Name: N-methyl-5-nitropyridin-2-amine
SYSTEMATIC NAME: N-methyl-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: CNC1=NC=C(C=C1)[N+](=O)[O-]
Structure:

CAS RN: 6502-55-2
CAS Name: (4-cyclohexylphenyl)-phenylmethanone
OPENEYE Name: (4-cyclohexylphenyl)-phenyl-methanone
IUPAC Name: (4-cyclohexylphenyl)-phenylmethanone
SYSTEMATIC NAME: (4-cyclohexylphenyl)-phenyl-methanone
MOLECULAR FORMULA: C19H20O
MOLECULAR WEIGHT: 264.3615
SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Structure:

CAS RN: 65085-83-8
CAS Name: 1-[4-(benzenesulfonyl)phenyl]ethanone
OPENEYE Name: 1-[4-(benzenesulfonyl)phenyl]ethanone
IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(phenylsulfonyl)phenyl]ethanone
MOLECULAR FORMULA: C14H12O3S
MOLECULAR WEIGHT: 260.30828
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
Structure:

CAS RN: 65573-07-1
CAS Name: 1-[4-(benzenesulfonyl)phenyl]ethanone
OPENEYE Name: 1-[4-(benzenesulfonyl)phenyl]ethanone
IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(phenylsulfonyl)phenyl]ethanone
MOLECULAR FORMULA: C14H12O3S
MOLECULAR WEIGHT: 260.30828
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
Structure:

CAS RN: 5809-25-6
CAS Name: acetic acid [3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthalenyl] ester
OPENEYE Name: [3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl] acetate
IUPAC Name: [3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] acetate
SYSTEMATIC NAME: [3-(3-methylbut-2-enyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C)C
Structure:

CAS RN: 62101-46-6
CAS Name: 2-chloro-3-(4-methylanilino)naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-(4-methylanilino)naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-(4-methylanilino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-[(4-methylphenyl)amino]naphthalene-1,4-dione
MOLECULAR FORMULA: C17H12ClNO2
MOLECULAR WEIGHT: 297.73568
SMILES: CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
Structure:

CAS RN: 17626-51-6
CAS Name: 1,2,4,7-tetrafluoro-9-fluorenone
OPENEYE Name: 1,2,4,7-tetrafluorofluoren-9-one
IUPAC Name: 1,2,4,7-tetrafluorofluoren-9-one
SYSTEMATIC NAME: 1,2,4,7-tetrakis(fluoranyl)fluoren-9-one
MOLECULAR FORMULA: C13H4F4O
MOLECULAR WEIGHT: 252.163873
SMILES: C1=CC2=C(C=C1F)C(=O)C3=C2C(=CC(=C3F)F)F
Structure:

CAS RN: 17917-57-6
CAS Name: 2,7-diaminospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
OPENEYE Name: 2,7-diaminospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
IUPAC Name: 2,7-diaminospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: 2,7-bis(azanyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C15H12N4O2
MOLECULAR WEIGHT: 280.28138
SMILES: C1=CC2=C(C=C1N)C3(C4=C2C=CC(=C4)N)C(=O)NC(=O)N3
Structure:

CAS RN: 29878-72-6
CAS Name: 1,3-difluoro-9-fluorenone
OPENEYE Name: 1,3-difluorofluoren-9-one
IUPAC Name: 1,3-difluorofluoren-9-one
SYSTEMATIC NAME: 1,3-bis(fluoranyl)fluoren-9-one
MOLECULAR FORMULA: C13H6F2O
MOLECULAR WEIGHT: 216.182946
SMILES: C1=CC=C2C(=C1)C3=CC(=CC(=C3C2=O)F)F
Structure:

CAS RN: 5683-78-3
CAS Name: 8-hydroxy-7-quinolinecarboxaldehyde
OPENEYE Name: 8-hydroxyquinoline-7-carbaldehyde
IUPAC Name: 8-hydroxyquinoline-7-carbaldehyde
SYSTEMATIC NAME: 8-oxidanylquinoline-7-carbaldehyde
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC2=C(C(=C(C=C2)C=O)O)N=C1
Structure:

CAS RN: 7781-10-4
CAS Name: 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-7-methyl-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-7-methyl-pyrrolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C7H6ClN3
MOLECULAR WEIGHT: 167.59564
SMILES: CN1C=CC2=C1N=CN=C2Cl
Structure:

CAS RN: 153567-18-1
CAS Name: 4-methylbenzenesulfonic acid 2-[4-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl ester
OPENEYE Name: 2-[4-fluoro-N-[2-(p-tolylsulfonyloxy)ethyl]anilino]ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-[4-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-[(4-fluorophenyl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C24H26FNO6S2
MOLECULAR WEIGHT: 507.594743
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F
Structure:

CAS RN: 82491-67-6
CAS Name: 1-(1-hydroxycyclobutyl)-1-cyclobutanol
OPENEYE Name: 1-(1-hydroxycyclobutyl)cyclobutanol
IUPAC Name: 1-(1-hydroxycyclobutyl)cyclobutan-1-ol
SYSTEMATIC NAME: 1-(1-oxidanylcyclobutyl)cyclobutan-1-ol
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C1CC(C1)(C2(CCC2)O)O
Structure:

CAS RN: 56517-33-0
CAS Name: 1-(2-hydroxypropan-2-yl)-1-cyclopentanol
OPENEYE Name: 1-(1-hydroxy-1-methyl-ethyl)cyclopentanol
IUPAC Name: 1-(2-hydroxypropan-2-yl)cyclopentan-1-ol
SYSTEMATIC NAME: 1-(2-oxidanylpropan-2-yl)cyclopentan-1-ol
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C)(C1(CCCC1)O)O
Structure:

CAS RN: 18424-68-5
CAS Name: 4-(4-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
OPENEYE Name: 1-norbornan-1-ylnorbornane
IUPAC Name: 4-(4-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SYSTEMATIC NAME: 4-(4-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: C1CC2(CCC1C2)C34CCC(C3)CC4
Structure:

CAS RN: 24539-72-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1C2C=CC1C3C2C(=O)C4=CC=CC=C4C3=O
Structure:

CAS RN: 55842-27-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: C1CC2C=CC1C3C2C(C4=CC=CC=C4C3O)O
Structure:

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