Tuesday, February 28, 2012

http://ChemLookup.com Compounds




CAS RN: 63915-80-0
CAS Name: 10-pyrido[3,2-b][1,4]benzothiazinecarboxylic acid 2-(4-morpholinyl)ethyl ester hydrochloride
OPENEYE Name: 2-morpholinoethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride
IUPAC Name: 2-morpholin-4-ylethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride
MOLECULAR FORMULA: C18H20ClN3O3S
MOLECULAR WEIGHT: 393.8877
SMILES: C1COCCN1CCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4.Cl
Structure:

CAS RN: 63915-79-7
CAS Name: diethyl-methyl-[2-[2-(1-methyl-1-piperidin-1-iumyl)ethoxy]ethyl]ammonium diiodide
OPENEYE Name: diethyl-methyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]ammonium diiodide
IUPAC Name: diethyl-methyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]azanium diiodide
SYSTEMATIC NAME: diethyl-methyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]azanium diiodide
MOLECULAR FORMULA: C15H34I2N2O
MOLECULAR WEIGHT: 512.2522
SMILES: CC[N+](C)(CC)CCOCC[N+]1(CCCCC1)C.[I-].[I-]
Structure:

CAS RN: 63915-76-4
CAS Name: beryllium sodium 2-oxidobutanedioate
OPENEYE Name: beryllium sodium 2-oxidobutanedioate
IUPAC Name: beryllium sodium 2-oxidobutanedioate
SYSTEMATIC NAME: beryllium sodium 2-oxidanidylbutanedioate
MOLECULAR FORMULA: C4H3BeNaO5
MOLECULAR WEIGHT: 163.065572
SMILES: [Be+2].C(C(C(=O)[O-])[O-])C(=O)[O-].[Na+]
Structure:

CAS RN: 63915-59-3
CAS Name: thiocyanic acid 2-[methyl(2-thiocyanatoethyl)amino]ethyl ester hydrochloride
OPENEYE Name: 2-[methyl(2-thiocyanatoethyl)amino]ethyl thiocyanate hydrochloride
IUPAC Name: 2-[methyl(2-thiocyanatoethyl)amino]ethyl thiocyanate hydrochloride
SYSTEMATIC NAME: 2-[methyl(2-thiocyanatoethyl)amino]ethyl thiocyanate hydrochloride
MOLECULAR FORMULA: C7H12ClN3S2
MOLECULAR WEIGHT: 237.77328
SMILES: CN(CCSC#N)CCSC#N.Cl
Structure:

CAS RN: 63915-51-5
CAS Name: 1-(3,4-dichlorophenyl)-4-(3-methoxypropyl)piperazine; sulfuric acid
OPENEYE Name: 1-(3,4-dichlorophenyl)-4-(3-methoxypropyl)piperazine; sulfuric acid
IUPAC Name: 1-(3,4-dichlorophenyl)-4-(3-methoxypropyl)piperazine; sulfuric acid
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-4-(3-methoxypropyl)piperazine; sulfuric acid
MOLECULAR FORMULA: C14H22Cl2N2O5S
MOLECULAR WEIGHT: 401.30588
SMILES: COCCCN1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl.OS(=O)(=O)O
Structure:

CAS RN: 63915-49-1
CAS Name: 2-(2,4-dichlorophenyl)-3-oxopropanenitrile
OPENEYE Name: 2-(2,4-dichlorophenyl)-3-oxo-propanenitrile
IUPAC Name: 2-(2,4-dichlorophenyl)-3-oxopropanenitrile
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C9H5Cl2NO
MOLECULAR WEIGHT: 214.0481
SMILES: C1=CC(=C(C=C1Cl)Cl)C(C=O)C#N
Structure:

CAS RN: 63915-46-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32BrNO
MOLECULAR WEIGHT: 430.42098
SMILES: CCC1[C@@H]2CC3=C([C@@]1(CCN2CCC4=CC=CC=C4)CC)C=C(C=C3)O.Br
Structure:

CAS RN: 63909-08-0
CAS Name: 2-hydroxyacetic acid [2-[4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 2-hydroxyacetate hydrochloride
IUPAC Name: [2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: [2-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] 2-oxidanylethanoate hydrochloride
MOLECULAR FORMULA: C29H32ClNO13
MOLECULAR WEIGHT: 638.01628
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CO)O)N)O.Cl
Structure:

CAS RN: 63908-37-2
CAS Name: 3-(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 3-isobutyl-7H-purine-2,6-dione
IUPAC Name: 3-(2-methylpropyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C9H12N4O2
MOLECULAR WEIGHT: 208.21718
SMILES: CC(C)CN1C2=C(C(=O)NC1=O)NC=N2
Structure:

CAS RN: 63908-24-7
CAS Name: 1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 1,3-diisobutyl-7H-purine-2,6-dione
IUPAC Name: 1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H20N4O2
MOLECULAR WEIGHT: 264.3235
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)NC=N2
Structure:

CAS RN: 63908-22-5
CAS Name: 1-methyl-3-(phenylmethyl)-7H-purine-2,6-dione
OPENEYE Name: 3-benzyl-1-methyl-7H-purine-2,6-dione
IUPAC Name: 3-benzyl-1-methyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-methyl-3-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=CC=C3
Structure:

CAS RN: 63907-40-4
CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C21H28N8O5
MOLECULAR WEIGHT: 472.49762
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N
Structure:

CAS RN: 63907-36-8
CAS Name: 1-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine hydrate tetrahydrochloride
OPENEYE Name: 1-(8-chloro-5-methoxy-tetralin-1-yl)piperidine hydrate tetrahydrochloride
IUPAC Name: 1-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine hydrate tetrahydrochloride
SYSTEMATIC NAME: 1-(8-chloranyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine hydrate tetrahydrochloride
MOLECULAR FORMULA: C64H94Cl8N4O5
MOLECULAR WEIGHT: 1283.07896
SMILES: COC1=C2CCCC(C2=C(C=C1)Cl)N3CCCCC3.COC1=C2CCCC(C2=C(C=C1)Cl)N3CCCCC3.COC1=C2CCCC(C2=C(C=C1)Cl)N3CCCCC3.COC1=C2CCCC(C2=C(C=C1)Cl)N3CCCCC3.O.Cl.Cl.Cl.Cl
Structure:

CAS RN: 63907-35-7
CAS Name: 1-phenyl-2-(1-piperidinyl)ethanol hydrochloride
OPENEYE Name: 1-phenyl-2-(1-piperidyl)ethanol hydrochloride
IUPAC Name: 1-phenyl-2-piperidin-1-ylethanol hydrochloride
SYSTEMATIC NAME: 1-phenyl-2-piperidin-1-yl-ethanol hydrochloride
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 241.757
SMILES: C1CCN(CC1)CC(C2=CC=CC=C2)O.Cl
Structure:

CAS RN: 63907-32-4
CAS Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; hydron; praseodymium(3+)
OPENEYE Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; hydron; praseodymium(3+)
IUPAC Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; hydron; praseodymium(3+)
SYSTEMATIC NAME: 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; hydron; praseodymium(3+)
MOLECULAR FORMULA: C10H13N2O8Pr
MOLECULAR WEIGHT: 430.12647
SMILES: [H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Pr+3]
Structure:

CAS RN: 63907-30-2
CAS Name: N-diethoxyphosphoryl-4,5-dimethyl-1,3-dithiolan-2-imine
OPENEYE Name: N-diethoxyphosphoryl-4,5-dimethyl-1,3-dithiolan-2-imine
IUPAC Name: N-diethoxyphosphoryl-4,5-dimethyl-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-diethoxyphosphoryl-4,5-dimethyl-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C9H18NO3PS2
MOLECULAR WEIGHT: 283.347881
SMILES: CCOP(=O)(N=C1SC(C(S1)C)C)OCC
Structure:

CAS RN: 63907-29-9
CAS Name: 4-imidazo[4,5-d]triazinone
OPENEYE Name: imidazo[4,5-d]triazin-4-one
IUPAC Name: imidazo[4,5-d]triazin-4-one
SYSTEMATIC NAME: imidazo[4,5-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C4HN5O
MOLECULAR WEIGHT: 135.08364
SMILES: C1=NC2=NN=NC(=O)C2=N1
Structure:

CAS RN: 63907-08-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H26ClN3O3
MOLECULAR WEIGHT: 548.03084
SMILES: C1=CC=C(C=C1)/C(=C/2\C3C=C(C2C4C3C(=O)NC4=O)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)/C7=CC=CC=N7.Cl
Structure:

CAS RN: 63907-05-1
CAS Name: N,2,3-trimethyl-3-bicyclo[2.2.1]heptanamine
OPENEYE Name: N,2,3-trimethylnorbornan-2-amine
IUPAC Name: N,2,3-trimethylbicyclo[2.2.1]heptan-3-amine
SYSTEMATIC NAME: N,2,3-trimethylbicyclo[2.2.1]heptan-3-amine
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: CC1C2CCC(C2)C1(C)NC
Structure:

CAS RN: 63907-04-0
CAS Name: N,N,2,3-tetramethyl-3-bicyclo[2.2.1]heptanamine
OPENEYE Name: N,N,2,3-tetramethylnorbornan-2-amine
IUPAC Name: N,N,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine
SYSTEMATIC NAME: N,N,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CC1C2CCC(C2)C1(C)N(C)C
Structure:

CAS RN: 63906-94-5
CAS Name: [[oxo(3-pyridinyl)methyl]amino]thiourea hydrochloride
OPENEYE Name: (pyridine-3-carbonylamino)thiourea hydrochloride
IUPAC Name: (pyridine-3-carbonylamino)thiourea hydrochloride
SYSTEMATIC NAME: 1-(pyridin-3-ylcarbonylamino)thiourea hydrochloride
MOLECULAR FORMULA: C7H9ClN4OS
MOLECULAR WEIGHT: 232.69056
SMILES: C1=CC(=CN=C1)C(=O)NNC(=S)N.Cl
Structure:

CAS RN: 63906-93-4
CAS Name: phosphoric acid diethoxyphosphoryl [di(propan-2-yloxy)phosphoryloxy-propan-2-yloxyphosphoryl] ethyl ester
OPENEYE Name: diethoxyphosphoryl [diisopropoxyphosphoryloxy(isopropoxy)phosphoryl] ethyl phosphate
IUPAC Name: diethoxyphosphoryl [di(propan-2-yloxy)phosphoryloxy-propan-2-yloxyphosphoryl] ethyl phosphate
SYSTEMATIC NAME: diethoxyphosphoryl [di(propan-2-yloxy)phosphoryloxy-propan-2-yloxy-phosphoryl] ethyl phosphate
MOLECULAR FORMULA: C15H36O13P4
MOLECULAR WEIGHT: 548.333584
SMILES: CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OC(C)C)OP(=O)(OC(C)C)OC(C)C
Structure:

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