Monday, February 27, 2012

http://ChemLookup.com Compounds




CAS RN: 63917-54-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O2
MOLECULAR WEIGHT: 350.45404
SMILES: COC1=CC2=C(CCC3=C(C2OC4CC5CCC(C4)N5)C=CC=N3)C=C1
Structure:

CAS RN: 63917-42-0
CAS Name: 3-[4-chloro-2-[(4-chlorophenyl)thio]phenyl]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-[4-chloro-2-(4-chlorophenyl)sulfanyl-phenyl]-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[4-chloranyl-2-(4-chlorophenyl)sulfanyl-phenyl]-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C17H20Cl3NS
MOLECULAR WEIGHT: 376.7714
SMILES: CN(C)CCCC1=C(C=C(C=C1)Cl)SC2=CC=C(C=C2)Cl.Cl
Structure:

CAS RN: 63917-40-8
CAS Name: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triphosphatriborinane
OPENEYE Name: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triphosphatriborinane
IUPAC Name: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triphosphatriborinane
SYSTEMATIC NAME: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triphosphatriborinane
MOLECULAR FORMULA: C6H18B3P3
MOLECULAR WEIGHT: 215.561403
SMILES: B1(P(B(P(B(P1C)C)C)C)C)C
Structure:

CAS RN: 63917-38-4
CAS Name: 4-[[2-[1,4-dimethyl-4-[2-[(4-methyl-4-morpholin-4-iumyl)methylthio]ethyl]-1-piperazine-1,4-diiumyl]ethylthio]methyl]-4-methylmorpholin-4-ium; 4-methylbenzenesulfonate
OPENEYE Name: 4-[2-[1,4-dimethyl-4-[2-[(4-methylmorpholin-4-ium-4-yl)methylsulfanyl]ethyl]piperazine-1,4-diium-1-yl]ethylsulfanylmethyl]-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonate
IUPAC Name: 4-[2-[1,4-dimethyl-4-[2-[(4-methylmorpholin-4-ium-4-yl)methylsulfanyl]ethyl]piperazine-1,4-diium-1-yl]ethylsulfanylmethyl]-4-methylmorpholin-4-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-[2-[1,4-dimethyl-4-[2-[(4-methylmorpholin-4-ium-4-yl)methylsulfanyl]ethyl]piperazine-1,4-diium-1-yl]ethylsulfanylmethyl]-4-methyl-morpholin-4-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C50H76N4O14S6
MOLECULAR WEIGHT: 1149.54684
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CC[N+](CC1)(C)CCSC[N+]2(CCOCC2)C)CCSC[N+]3(CCOCC3)C
Structure:

CAS RN: 63917-35-1
CAS Name: N-[4-chloro-2-[(4-chlorophenyl)thio]phenyl]-3-(dimethylamino)propanamide
OPENEYE Name: N-[4-chloro-2-(4-chlorophenyl)sulfanyl-phenyl]-3-(dimethylamino)propanamide
IUPAC Name: N-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide
SYSTEMATIC NAME: N-[4-chloranyl-2-(4-chlorophenyl)sulfanyl-phenyl]-3-(dimethylamino)propanamide
MOLECULAR FORMULA: C17H18Cl2N2OS
MOLECULAR WEIGHT: 369.30862
SMILES: CN(C)CCC(=O)NC1=C(C=C(C=C1)Cl)SC2=CC=C(C=C2)Cl
Structure:

CAS RN: 63917-34-0
CAS Name: 8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name: 8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C11H17N5O3
MOLECULAR WEIGHT: 267.28438
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)OCCN(C)C
Structure:

CAS RN: 63917-33-9
CAS Name: [4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]-(4-morpholinyl)methanone hydrochloride
OPENEYE Name: [4-[2-(dimethylamino)ethoxy]-3,5-dimethoxy-phenyl]-morpholino-methanone hydrochloride
IUPAC Name: [4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]-morpholin-4-ylmethanone hydrochloride
SYSTEMATIC NAME: [4-[2-(dimethylamino)ethoxy]-3,5-dimethoxy-phenyl]-morpholin-4-yl-methanone hydrochloride
MOLECULAR FORMULA: C17H27ClN2O5
MOLECULAR WEIGHT: 374.85968
SMILES: CN(C)CCOC1=C(C=C(C=C1OC)C(=O)N2CCOCC2)OC.Cl
Structure:

CAS RN: 63917-28-2
CAS Name: 4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
OPENEYE Name: 4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
IUPAC Name: 4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
SYSTEMATIC NAME: 4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3NC(=S)N2
Structure:

CAS RN: 63917-27-1
CAS Name: 3-(2-mercaptophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione
IUPAC Name: 4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H16N2S2
MOLECULAR WEIGHT: 264.40954
SMILES: CC1=CC(NC(=S)N1C2=CC=CC=C2S)(C)C
Structure:

CAS RN: 63917-26-0
CAS Name: 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-3-[2-(1-imidazolyl)ethyl]thiourea
OPENEYE Name: 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-3-(2-imidazol-1-ylethyl)thiourea
IUPAC Name: 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-3-(2-imidazol-1-ylethyl)thiourea
SYSTEMATIC NAME: 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-3-(2-imidazol-1-ylethyl)thiourea
MOLECULAR FORMULA: C11H18N6S
MOLECULAR WEIGHT: 266.36582
SMILES: C1CN(C=N1)CCNC(=S)NCCN2C=CN=C2
Structure:

CAS RN: 63917-04-4
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; lutetium(3+)
OPENEYE Name: lutetium(3+) citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; lutetium(3+)
SYSTEMATIC NAME: lutetium(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5LuO7
MOLECULAR WEIGHT: 364.0667
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Lu+3]
Structure:

CAS RN: 63917-02-2
CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrochloride
IUPAC Name: ethyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrochloride
SYSTEMATIC NAME: ethyl (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrochloride
MOLECULAR FORMULA: C21H34Cl3N3O3
MOLECULAR WEIGHT: 482.87196
SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)[C@H](CC(C)C)N.Cl
Structure:

CAS RN: 63917-01-1
CAS Name: dodecanoic acid thiocyanatomethyl ester; thiocyanic acid 2-(2-butoxyethoxy)ethyl ester
OPENEYE Name: 2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate
IUPAC Name: 2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate
SYSTEMATIC NAME: 2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate
MOLECULAR FORMULA: C51H92N4O8S4
MOLECULAR WEIGHT: 1017.55818
SMILES: CCCCCCCCCCCC(=O)OCSC#N.CCCCCCCCCCCC(=O)OCSC#N.CCCCCCCCCCCC(=O)OCSC#N.CCCCOCCOCCSC#N
Structure:

CAS RN: 63916-99-4
CAS Name: 2-(4-methyl-1-quinolin-1-iumyl)acetic acid ethyl ester bromide
OPENEYE Name: ethyl 2-(4-methylquinolin-1-ium-1-yl)acetate bromide
IUPAC Name: ethyl 2-(4-methylquinolin-1-ium-1-yl)acetate bromide
SYSTEMATIC NAME: ethyl 2-(4-methylquinolin-1-ium-1-yl)ethanoate bromide
MOLECULAR FORMULA: C14H16BrNO2
MOLECULAR WEIGHT: 310.18634
SMILES: CCOC(=O)C[N+]1=CC=C(C2=CC=CC=C21)C.[Br-]
Structure:

CAS RN: 63916-96-1
CAS Name: lead(2+) diperchlorate hexahydrate
OPENEYE Name: plumbous diperchlorate hexahydrate
IUPAC Name: lead(2+) diperchlorate hexahydrate
SYSTEMATIC NAME: lead(2+) diperchlorate hexahydrate
MOLECULAR FORMULA: Cl2H12O14Pb
MOLECULAR WEIGHT: 514.19288
SMILES: O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pb+2]
Structure:

CAS RN: 63916-72-3
CAS Name: 4-cyclohexylbenzoic acid 3-(2-methyl-1-piperidinyl)propyl ester
OPENEYE Name: 3-(2-methyl-1-piperidyl)propyl 4-cyclohexylbenzoate
IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexylbenzoate
SYSTEMATIC NAME: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexylbenzoate
MOLECULAR FORMULA: C22H33NO2
MOLECULAR WEIGHT: 343.50292
SMILES: CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)C3CCCCC3
Structure:

CAS RN: 63916-57-4
CAS Name: 4-chloro-2-[(4-chlorophenyl)thio]-N-[3-(1-piperidinyl)propyl]aniline hydrochloride
OPENEYE Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-[3-(1-piperidyl)propyl]aniline hydrochloride
IUPAC Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline hydrochloride
SYSTEMATIC NAME: 4-chloranyl-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline hydrochloride
MOLECULAR FORMULA: C20H25Cl3N2S
MOLECULAR WEIGHT: 431.8499
SMILES: C1CCN(CC1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.Cl
Structure:

CAS RN: 63916-56-3
CAS Name: N-[4-chloro-2-[(4-chlorophenyl)thio]phenyl]-3-(1-piperidinyl)propanamide
OPENEYE Name: N-[4-chloro-2-(4-chlorophenyl)sulfanyl-phenyl]-3-(1-piperidyl)propanamide
IUPAC Name: N-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide
SYSTEMATIC NAME: N-[4-chloranyl-2-(4-chlorophenyl)sulfanyl-phenyl]-3-piperidin-1-yl-propanamide
MOLECULAR FORMULA: C20H22Cl2N2OS
MOLECULAR WEIGHT: 409.37248
SMILES: C1CCN(CC1)CCC(=O)NC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl
Structure:

CAS RN: 63916-55-2
CAS Name: N-[5-chloro-2-[(4-chlorophenyl)thio]phenyl]-3-(1-piperidinyl)propanamide
OPENEYE Name: N-[5-chloro-2-(4-chlorophenyl)sulfanyl-phenyl]-3-(1-piperidyl)propanamide
IUPAC Name: N-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide
SYSTEMATIC NAME: N-[5-chloranyl-2-(4-chlorophenyl)sulfanyl-phenyl]-3-piperidin-1-yl-propanamide
MOLECULAR FORMULA: C20H22Cl2N2OS
MOLECULAR WEIGHT: 409.37248
SMILES: C1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)Cl
Structure:

CAS RN: 63916-54-1
CAS Name: 1-(cyclohexylmethyl)piperidine; [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
OPENEYE Name: 1-(cyclohexylmethyl)piperidine; [(1S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
IUPAC Name: 1-(cyclohexylmethyl)piperidine; [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
SYSTEMATIC NAME: 1-(cyclohexylmethyl)piperidine; [(4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
MOLECULAR FORMULA: C22H39NO4S
MOLECULAR WEIGHT: 413.61436
SMILES: CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.C1CCC(CC1)CN2CCCCC2
Structure:

CAS RN: 63916-53-0
CAS Name: 2,2-diphenylacetic acid (1-methyl-4-phenyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: (1-methyl-4-phenyl-4-piperidyl) 2,2-diphenylacetate hydrochloride
IUPAC Name: (1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: (1-methyl-4-phenyl-piperidin-4-yl) 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C26H28ClNO2
MOLECULAR WEIGHT: 421.95902
SMILES: CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Structure:

CAS RN: 63916-52-9
CAS Name: acetic acid (3-ethyl-1-methyl-4-phenyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: (3-ethyl-1-methyl-4-phenyl-4-piperidyl) acetate hydrochloride
IUPAC Name: (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate hydrochloride
SYSTEMATIC NAME: (3-ethyl-1-methyl-4-phenyl-piperidin-4-yl) ethanoate hydrochloride
MOLECULAR FORMULA: C16H24ClNO2
MOLECULAR WEIGHT: 297.82026
SMILES: CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)C)C.Cl
Structure:

CAS RN: 63916-51-8
CAS Name: propanoic acid (1,4-dibutyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: (1,4-dibutyl-4-piperidyl) propanoate hydrochloride
IUPAC Name: (1,4-dibutylpiperidin-4-yl) propanoate hydrochloride
SYSTEMATIC NAME: (1,4-dibutylpiperidin-4-yl) propanoate hydrochloride
MOLECULAR FORMULA: C16H32ClNO2
MOLECULAR WEIGHT: 305.88378
SMILES: CCCCC1(CCN(CC1)CCCC)OC(=O)CC.Cl
Structure:

CAS RN: 63916-50-7
CAS Name: 1,4-dibutyl-4-piperidinol hydrochloride
OPENEYE Name: 1,4-dibutylpiperidin-4-ol hydrochloride
IUPAC Name: 1,4-dibutylpiperidin-4-ol hydrochloride
SYSTEMATIC NAME: 1,4-dibutylpiperidin-4-ol hydrochloride
MOLECULAR FORMULA: C13H28ClNO
MOLECULAR WEIGHT: 249.82052
SMILES: CCCCC1(CCN(CC1)CCCC)O.Cl
Structure:

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