Wednesday, June 27, 2012

http://ChemLookup.com Compounds




CAS RN: 66335-27-1
CAS Name: 2-chloro-1-octyl-3-indolecarboxylic acid
OPENEYE Name: 2-chloro-1-octyl-indole-3-carboxylic acid
IUPAC Name: 2-chloro-1-octylindole-3-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-1-octyl-indole-3-carboxylic acid
MOLECULAR FORMULA: C17H22ClNO2
MOLECULAR WEIGHT: 307.81508
SMILES: CCCCCCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O
Structure:

CAS RN: 63793-65-7
CAS Name: 2-(2-chloro-1-phenyl-3-indolyl)acetonitrile
OPENEYE Name: 2-(2-chloro-1-phenyl-indol-3-yl)acetonitrile
IUPAC Name: 2-(2-chloro-1-phenylindol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-chloranyl-1-phenyl-indol-3-yl)ethanenitrile
MOLECULAR FORMULA: C16H11ClN2
MOLECULAR WEIGHT: 266.72494
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)CC#N
Structure:

CAS RN: 5216-26-2
CAS Name: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
IUPAC Name: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
MOLECULAR FORMULA: C14H20O4
MOLECULAR WEIGHT: 252.3062
SMILES: CC(=CCC1(CC(=O)C(=C(C1=O)OC)OC)C)C
Structure:

CAS RN: 60404-98-0
CAS Name: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
IUPAC Name: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
MOLECULAR FORMULA: C14H20O4
MOLECULAR WEIGHT: 252.3062
SMILES: CC(=CCC1(CC(=O)C(=C(C1=O)OC)OC)C)C
Structure:

CAS RN: 6655-77-2
CAS Name: 3-nitrobenzenesulfonohydrazide
OPENEYE Name: 3-nitrobenzenesulfonohydrazide
IUPAC Name: 3-nitrobenzenesulfonohydrazide
SYSTEMATIC NAME: 3-nitrobenzenesulfonohydrazide
MOLECULAR FORMULA: C6H7N3O4S
MOLECULAR WEIGHT: 217.20248
SMILES: C1=CC(=CC(=C1)S(=O)(=O)NN)[N+](=O)[O-]
Structure:

CAS RN: 75968-23-9
CAS Name: 2-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]acetic acid
OPENEYE Name: 2-[(2,5-dichlorophenyl)sulfonylhydrazono]acetic acid
IUPAC Name: 2-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]acetic acid
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]sulfonylhydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C8H6Cl2N2O4S
MOLECULAR WEIGHT: 297.11524
SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)NN=CC(=O)O)Cl
Structure:

CAS RN: 75968-22-8
CAS Name: 2-[(3-nitrophenyl)sulfonylhydrazinylidene]acetic acid
OPENEYE Name: 2-[(3-nitrophenyl)sulfonylhydrazono]acetic acid
IUPAC Name: 2-[(3-nitrophenyl)sulfonylhydrazinylidene]acetic acid
SYSTEMATIC NAME: 2-[(3-nitrophenyl)sulfonylhydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C8H7N3O6S
MOLECULAR WEIGHT: 273.22268
SMILES: C1=CC(=CC(=C1)S(=O)(=O)NN=CC(=O)O)[N+](=O)[O-]
Structure:

CAS RN: 65251-29-8
CAS Name: 2-[(4-methylphenyl)hydrazinylidene]acetic acid
OPENEYE Name: 2-(p-tolylhydrazono)acetic acid
IUPAC Name: 2-[(4-methylphenyl)hydrazinylidene]acetic acid
SYSTEMATIC NAME: 2-[(4-methylphenyl)hydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: CC1=CC=C(C=C1)NN=CC(=O)O
Structure:

CAS RN: 62805-42-9
CAS Name: 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-triazolo[4,5-b]pyridin-7-one
OPENEYE Name: 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-triazolo[4,5-b]pyridin-7-one
IUPAC Name: 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-b]pyridin-7-one
SYSTEMATIC NAME: 5-azanyl-3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-[1,2,3]triazolo[4,5-b]pyridin-7-one
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=C(N=C2C(=NNN2C3C(C(C(O3)CO)O)O)C1=O)N
Structure:

CAS RN: 67505-66-2
CAS Name: N-[3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-triazolo[4,5-b]pyridinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]triazolo[4,5-b]pyridin-5-yl]carbamate
IUPAC Name: ethyl N-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazolo[4,5-b]pyridin-5-yl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-[1,2,3]triazolo[4,5-b]pyridin-5-yl]carbamate
MOLECULAR FORMULA: C13H17N5O6
MOLECULAR WEIGHT: 339.30398
SMILES: CCOC(=O)NC1=NC2=C(C=C1)N=NN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 64372-72-1
CAS Name: 2-(hydroxymethyl)-5-[4-(prop-2-enylthio)-1-pyrazolo[3,4-d]pyrimidinyl]oxolane-3,4-diol
OPENEYE Name: 2-(4-allylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(4-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(4-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H16N4O4S
MOLECULAR WEIGHT: 324.35554
SMILES: C=CCSC1=NC=NC2=C1C=NN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 64372-76-5
CAS Name: 2-(4-hydrazinyl-1-pyrazolo[3,4-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(4-hydrazinopyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(4-diazanylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O4
MOLECULAR WEIGHT: 282.25596
SMILES: C1=NN(C2=C1C(=NC=N2)NN)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 94620-78-7
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-4-thieno[2,3-d]pyrimidinone
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-thieno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylthieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N2O5S
MOLECULAR WEIGHT: 298.31496
SMILES: CC1=CSC2=C1C(=O)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 30066-71-8
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H13N3O5
MOLECULAR WEIGHT: 267.23802
SMILES: C1=CNC2=C1C(=O)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:

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