Sunday, September 30, 2012

http://ChemLookup.com Compounds




CAS RN: 2878-01-5
CAS Name: 5-(2-chlorophenyl)azopyrimidine-2,4,6-triamine
OPENEYE Name: 5-(2-chlorophenyl)azopyrimidine-2,4,6-triamine
IUPAC Name: 5-[(2-chlorophenyl)diazenyl]pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-[(2-chlorophenyl)diazenyl]pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C10H10ClN7
MOLECULAR WEIGHT: 263.6863
SMILES: C1=CC=C(C(=C1)N=NC2=C(N=C(N=C2N)N)N)Cl
Structure:

CAS RN: 2877-70-5
CAS Name: 4-[(2-amino-4,6-dimethyl-5-pyrimidinyl)azo]benzenesulfonic acid
OPENEYE Name: 4-(2-amino-4,6-dimethyl-pyrimidin-5-yl)azobenzenesulfonic acid
IUPAC Name: 4-[(2-amino-4,6-dimethylpyrimidin-5-yl)diazenyl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[(2-azanyl-4,6-dimethyl-pyrimidin-5-yl)diazenyl]benzenesulfonic acid
MOLECULAR FORMULA: C12H13N5O3S
MOLECULAR WEIGHT: 307.32832
SMILES: CC1=C(C(=NC(=N1)N)C)N=NC2=CC=C(C=C2)S(=O)(=O)O
Structure:

CAS RN: 2877-67-0
CAS Name: [3-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]phosphonic acid
OPENEYE Name: [3-(2,4,6-triaminopyrimidin-5-yl)azophenyl]phosphonic acid
IUPAC Name: [3-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]phenyl]phosphonic acid
SYSTEMATIC NAME: [3-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]phenyl]phosphonic acid
MOLECULAR FORMULA: C10H12N7O3P
MOLECULAR WEIGHT: 309.221141
SMILES: C1=CC(=CC(=C1)P(=O)(O)O)N=NC2=C(N=C(N=C2N)N)N
Structure:

CAS RN: 2872-55-1
CAS Name: 1-(2-chlorophenyl)-4-(4-phenoxybutyl)piperazine hydrochloride
OPENEYE Name: 1-(2-chlorophenyl)-4-(4-phenoxybutyl)piperazine hydrochloride
IUPAC Name: 1-(2-chlorophenyl)-4-(4-phenoxybutyl)piperazine hydrochloride
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-(4-phenoxybutyl)piperazine hydrochloride
MOLECULAR FORMULA: C20H26Cl2N2O
MOLECULAR WEIGHT: 381.33924
SMILES: C1CN(CCN1CCCCOC2=CC=CC=C2)C3=CC=CC=C3Cl.Cl
Structure:

CAS RN: 2864-96-2
CAS Name: 3-(4-fluorophenyl)-5-methyl-3-pyrrolidinol hydrochloride
OPENEYE Name: 3-(4-fluorophenyl)-5-methyl-pyrrolidin-3-ol hydrochloride
IUPAC Name: 3-(4-fluorophenyl)-5-methylpyrrolidin-3-ol hydrochloride
SYSTEMATIC NAME: 3-(4-fluorophenyl)-5-methyl-pyrrolidin-3-ol hydrochloride
MOLECULAR FORMULA: C11H15ClFNO
MOLECULAR WEIGHT: 231.694303
SMILES: CC1CC(CN1)(C2=CC=C(C=C2)F)O.Cl
Structure:

CAS RN: 2855-58-5
CAS Name: 7-chloro-5-phenyl-3,4-dihydro-1,3,4-benzotriazepin-2-one
OPENEYE Name: 7-chloro-5-phenyl-3,4-dihydro-1,3,4-benzotriazepin-2-one
IUPAC Name: 7-chloro-5-phenyl-3,4-dihydro-1,3,4-benzotriazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-5-phenyl-3,4-dihydro-1,3,4-benzotriazepin-2-one
MOLECULAR FORMULA: C14H10ClN3O
MOLECULAR WEIGHT: 271.7017
SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)NN2)Cl
Structure:

CAS RN: 34373-95-0
CAS Name: 4-acetyloxybutyl(trimethyl)ammonium
OPENEYE Name: 4-acetoxybutyl(trimethyl)ammonium
IUPAC Name: 4-acetyloxybutyl(trimethyl)azanium
SYSTEMATIC NAME: 4-acetyloxybutyl(trimethyl)azanium
MOLECULAR FORMULA: C9H20NO2+
MOLECULAR WEIGHT: 174.2606
SMILES: CC(=O)OCCCC[N+](C)(C)C
Structure:

CAS RN: 2848-37-5
CAS Name: 4-acetyloxybutyl(trimethyl)ammonium iodide
OPENEYE Name: 4-acetoxybutyl(trimethyl)ammonium iodide
IUPAC Name: 4-acetyloxybutyl(trimethyl)azanium iodide
SYSTEMATIC NAME: 4-acetyloxybutyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C9H20INO2
MOLECULAR WEIGHT: 301.16507
SMILES: CC(=O)OCCCC[N+](C)(C)C.[I-]
Structure:

CAS RN: 2847-70-3
CAS Name: 2-[2-[4-(4-chlorophenyl)-1-azepanyl]ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-[4-(4-chlorophenyl)azepan-1-yl]ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-[4-(4-chlorophenyl)azepan-1-yl]ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-[4-(4-chlorophenyl)azepan-1-yl]ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C15H25ClN4O4S
MOLECULAR WEIGHT: 392.9014
SMILES: C1CC(CCN(C1)CCN=C(N)N)C2=CC=C(C=C2)Cl.OS(=O)(=O)O
Structure:

CAS RN: 2847-69-0
CAS Name: sulfuric acid; 2-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine
OPENEYE Name: sulfuric acid; 2-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine
IUPAC Name: sulfuric acid; 2-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine
SYSTEMATIC NAME: sulfuric acid; 2-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine
MOLECULAR FORMULA: C13H28N4O4S
MOLECULAR WEIGHT: 336.45082
SMILES: CC1(C2CCC1(CN(C2)CCN=C(N)N)C)C.OS(=O)(=O)O
Structure:

CAS RN: 2832-95-3
CAS Name: 4-(4-phenylbutan-2-yl)morpholine
OPENEYE Name: 4-(1-methyl-3-phenyl-propyl)morpholine
IUPAC Name: 4-(4-phenylbutan-2-yl)morpholine
SYSTEMATIC NAME: 4-(4-phenylbutan-2-yl)morpholine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CC(CCC1=CC=CC=C1)N2CCOCC2
Structure:

CAS RN: 2827-43-2
CAS Name: 6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C7H12N6
MOLECULAR WEIGHT: 180.21038
SMILES: C1CCN(C1)C2=NC(=NC(=N2)N)N
Structure:

CAS RN: 2827-07-8
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-2-chloro-6-methyl-4-pyrimidinamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-2-chloro-6-methyl-pyrimidin-4-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-2-chloro-6-methylpyrimidin-4-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-2-chloranyl-6-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C9H13ClN5OP
MOLECULAR WEIGHT: 273.659181
SMILES: CC1=CC(=NC(=N1)Cl)NP(=O)(N2CC2)N3CC3
Structure:

CAS RN: 2819-68-3
CAS Name: 3-(2-oxo-1-phenylcyclohexyl)propanoic acid
OPENEYE Name: 3-(2-oxo-1-phenyl-cyclohexyl)propanoic acid
IUPAC Name: 3-(2-oxo-1-phenylcyclohexyl)propanoic acid
SYSTEMATIC NAME: 3-(2-oxidanylidene-1-phenyl-cyclohexyl)propanoic acid
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: C1CCC(C(=O)C1)(CCC(=O)O)C2=CC=CC=C2
Structure:

CAS RN: 2819-67-2
CAS Name: 3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanoic acid
OPENEYE Name: 3-[1-(2-methoxyphenyl)-2-oxo-cyclohexyl]propanoic acid
IUPAC Name: 3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanoic acid
SYSTEMATIC NAME: 3-[1-(2-methoxyphenyl)-2-oxidanylidene-cyclohexyl]propanoic acid
MOLECULAR FORMULA: C16H20O4
MOLECULAR WEIGHT: 276.3276
SMILES: COC1=CC=CC=C1C2(CCCCC2=O)CCC(=O)O
Structure:

CAS RN: 2817-90-5
CAS Name: 1-methyl-2-(phenylmethyl)hydrazine; phosphoric acid
OPENEYE Name: 1-benzyl-2-methyl-hydrazine; phosphoric acid
IUPAC Name: 1-benzyl-2-methylhydrazine; phosphoric acid
SYSTEMATIC NAME: 1-methyl-2-(phenylmethyl)diazane; phosphoric acid
MOLECULAR FORMULA: C8H15N2O4P
MOLECULAR WEIGHT: 234.189461
SMILES: CNNCC1=CC=CC=C1.OP(=O)(O)O
Structure:

CAS RN: 2809-46-3
CAS Name: 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrile
OPENEYE Name: 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenyl-pentanenitrile
IUPAC Name: 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrile
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenyl-pentanenitrile
MOLECULAR FORMULA: C16H24N2
MOLECULAR WEIGHT: 244.37516
SMILES: CCC(C)C(CCN(C)C)(C#N)C1=CC=CC=C1
Structure:

CAS RN: 2800-92-2
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-6-chloro-2-methyl-4-pyrimidinamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-6-chloro-2-methyl-pyrimidin-4-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-6-chloro-2-methylpyrimidin-4-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-6-chloranyl-2-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C9H13ClN5OP
MOLECULAR WEIGHT: 273.659181
SMILES: CC1=NC(=CC(=N1)Cl)NP(=O)(N2CC2)N3CC3
Structure:

CAS RN: 2799-95-3
CAS Name: 5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitroaniline
OPENEYE Name: 5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitro-aniline
IUPAC Name: 5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitroaniline
SYSTEMATIC NAME: 5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitro-aniline
MOLECULAR FORMULA: C12H19N2O5PS
MOLECULAR WEIGHT: 334.328421
SMILES: CCOP(=S)(OCC)OC1=CC(=C(C=C1)[N+](=O)[O-])N(C)C
Structure:

CAS RN: 2799-75-9
CAS Name: 5,6-dihydro-4H-1,3-thiazin-2-amine hydrobromide
OPENEYE Name: 5,6-dihydro-4H-1,3-thiazin-2-amine hydrobromide
IUPAC Name: 5,6-dihydro-4H-1,3-thiazin-2-amine hydrobromide
SYSTEMATIC NAME: 5,6-dihydro-4H-1,3-thiazin-2-amine hydrobromide
MOLECULAR FORMULA: C4H9BrN2S
MOLECULAR WEIGHT: 197.09666
SMILES: C1CN=C(SC1)N.Br
Structure:

CAS RN: 2798-09-6
CAS Name: [bis(4-chlorophenyl)methylthio]-diethoxy-sulfanylidenephosphorane
OPENEYE Name: bis(4-chlorophenyl)methylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: bis(4-chlorophenyl)methylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(4-chlorophenyl)methylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C17H19Cl2O2PS2
MOLECULAR WEIGHT: 421.341321
SMILES: CCOP(=S)(OCC)SC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
Structure:

CAS RN: 2797-57-1
CAS Name: bis(butylthio)-phenylphosphine
OPENEYE Name: bis(butylsulfanyl)-phenyl-phosphane
IUPAC Name: bis(butylsulfanyl)-phenylphosphane
SYSTEMATIC NAME: bis(butylsulfanyl)-phenyl-phosphane
MOLECULAR FORMULA: C14H23PS2
MOLECULAR WEIGHT: 286.436181
SMILES: CCCCSP(C1=CC=CC=C1)SCCCC
Structure:

CAS RN: 2797-17-3
CAS Name: 5-fluoro-1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15FN2O6
MOLECULAR WEIGHT: 302.255703
SMILES: CC1(OC2[C@H](O[C@H](C2O1)N3C=C(C(=O)NC3=O)F)CO)C
Structure:

CAS RN: 2788-28-5
CAS Name: [(2R)-3-cyano-2-hydroxypropyl]-trimethylammonium
OPENEYE Name: [(2R)-3-cyano-2-hydroxy-propyl]-trimethyl-ammonium
IUPAC Name: [(2R)-3-cyano-2-hydroxypropyl]-trimethylazanium
SYSTEMATIC NAME: [(2R)-3-cyano-2-oxidanyl-propyl]-trimethyl-azanium
MOLECULAR FORMULA: C7H15N2O+
MOLECULAR WEIGHT: 143.2068
SMILES: C[N+](C)(C)C[C@@H](CC#N)O
Structure:

CAS RN: 2788-28-5
CAS Name: [(2R)-3-cyano-2-hydroxypropyl]-trimethylammonium chloride
OPENEYE Name: [(2R)-3-cyano-2-hydroxy-propyl]-trimethyl-ammonium chloride
IUPAC Name: [(2R)-3-cyano-2-hydroxypropyl]-trimethylazanium chloride
SYSTEMATIC NAME: [(2R)-3-cyano-2-oxidanyl-propyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C7H15ClN2O
MOLECULAR WEIGHT: 178.6598
SMILES: C[N+](C)(C)C[C@@H](CC#N)O.[Cl-]
Structure:

CAS RN: 2779-60-4
CAS Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C9H23N5O4S
MOLECULAR WEIGHT: 297.37502
SMILES: CN1CCCN(CC1)CCN=C(N)N.OS(=O)(=O)O
Structure:

CAS RN: 2779-59-1
CAS Name: 2-[2-(1-oxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-(1-oxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-(1-oxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-(1-oxidanylidene-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C8H20N4O5S2
MOLECULAR WEIGHT: 316.3982
SMILES: C1CN(CCS(=O)C1)CCN=C(N)N.OS(=O)(=O)O
Structure:

CAS RN: 2779-58-0
CAS Name: 2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-[1,1-bis(oxidanylidene)-1,4-thiazepan-4-yl]ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C8H20N4O6S2
MOLECULAR WEIGHT: 332.3976
SMILES: C1CN(CCS(=O)(=O)C1)CCN=C(N)N.OS(=O)(=O)O
Structure:

No comments:

Post a Comment