Sunday, February 26, 2012

http://ChemLookup.com Compounds




CAS RN: 66392-35-6
CAS Name: 2-(ethenylthio)-1H-benzimidazole hydrochloride
OPENEYE Name: 2-vinylsulfanyl-1H-benzimidazole hydrochloride
IUPAC Name: 2-ethenylsulfanyl-1H-benzimidazole hydrochloride
SYSTEMATIC NAME: 2-ethenylsulfanyl-1H-benzimidazole hydrochloride
MOLECULAR FORMULA: C9H9ClN2S
MOLECULAR WEIGHT: 212.69916
SMILES: C=CSC1=NC2=CC=CC=C2N1.Cl
Structure:

CAS RN: 66372-86-9
CAS Name: 5-propyl-3H-thiophen-2-one
OPENEYE Name: 5-propyl-3H-thiophen-2-one
IUPAC Name: 5-propyl-3H-thiophen-2-one
SYSTEMATIC NAME: 5-propyl-3H-thiophen-2-one
MOLECULAR FORMULA: C7H10OS
MOLECULAR WEIGHT: 142.2187
SMILES: CCCC1=CCC(=O)S1
Structure:

CAS RN: 66355-07-5
CAS Name: 6-methoxy-2-(4-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 6-methoxy-2-(4-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 6-methoxy-2-(4-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 6-methoxy-2-(4-methoxyphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C18H17N5O2S
MOLECULAR WEIGHT: 367.42488
SMILES: COC1=CC=C(C=C1)C2=C(C3=C(N2)C=C(C=C3)OC)SCC4=NNN=N4
Structure:

CAS RN: 66355-05-3
CAS Name: 2-methoxy-4-[3-(2H-tetrazol-5-ylmethylthio)-1H-indol-2-yl]phenol
OPENEYE Name: 2-methoxy-4-[3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indol-2-yl]phenol
IUPAC Name: 2-methoxy-4-[3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indol-2-yl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indol-2-yl]phenol
MOLECULAR FORMULA: C17H15N5O2S
MOLECULAR WEIGHT: 353.3983
SMILES: COC1=C(C=CC(=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)O
Structure:

CAS RN: 66355-04-2
CAS Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C18H17N5O2S
MOLECULAR WEIGHT: 367.42488
SMILES: COC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)OC
Structure:

CAS RN: 66355-02-0
CAS Name: 2-(2-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 2-(2-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 2-(2-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C17H15N5OS
MOLECULAR WEIGHT: 337.3989
SMILES: COC1=CC=CC=C1C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4
Structure:

CAS RN: 66355-00-8
CAS Name: 2-(4-chlorophenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 2-(4-chlorophenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 2-(4-chlorophenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C16H12ClN5S
MOLECULAR WEIGHT: 341.81798
SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)SCC4=NNN=N4
Structure:

CAS RN: 66354-97-0
CAS Name: 6-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 6-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 6-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 6-methyl-2-phenyl-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C17H15N5S
MOLECULAR WEIGHT: 321.3995
SMILES: CC1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3)SCC4=NNN=N4
Structure:

CAS RN: 66354-95-8
CAS Name: 5-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 5-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 5-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 5-methyl-2-phenyl-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C17H15N5S
MOLECULAR WEIGHT: 321.3995
SMILES: CC1=CC2=C(C=C1)NC(=C2SCC3=NNN=N3)C4=CC=CC=C4
Structure:

CAS RN: 66354-93-6
CAS Name: 4-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylthio)-1H-indole
OPENEYE Name: 4-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
IUPAC Name: 4-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
SYSTEMATIC NAME: 4-methyl-2-phenyl-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole
MOLECULAR FORMULA: C17H15N5S
MOLECULAR WEIGHT: 321.3995
SMILES: CC1=C2C(=CC=C1)NC(=C2SCC3=NNN=N3)C4=CC=CC=C4
Structure:

CAS RN: 66333-70-8
CAS Name: 5-amino-2-(10-methyl-9H-acridin-9-yl)phenol
OPENEYE Name: 5-amino-2-(10-methyl-9H-acridin-9-yl)phenol
IUPAC Name: 5-amino-2-(10-methyl-9H-acridin-9-yl)phenol
SYSTEMATIC NAME: 5-azanyl-2-(10-methyl-9H-acridin-9-yl)phenol
MOLECULAR FORMULA: C20H18N2O
MOLECULAR WEIGHT: 302.36972
SMILES: CN1C2=CC=CC=C2C(C3=CC=CC=C31)C4=C(C=C(C=C4)N)O
Structure:

CAS RN: 66322-28-9
CAS Name: 2-[4,6-diamino-3-[[3-amino-6-[1-(methylamino)ethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
OPENEYE Name: 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)-3-[3-azanyl-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H41N5O7
MOLECULAR WEIGHT: 463.56884
SMILES: CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)O)NC)O)N)N)N)NC
Structure:

CAS RN: 66322-27-8
CAS Name: 5-amino-6-[4,6-diamino-3-[[3,5-dihydroxy-4-(methylamino)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
OPENEYE Name: 5-amino-6-[4,6-diamino-3-[3,5-dihydroxy-4-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-(1-hydroxyethyl)tetrahydropyran-3,4-diol
IUPAC Name: 5-amino-6-[4,6-diamino-3-[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
SYSTEMATIC NAME: 5-azanyl-6-[4,6-bis(azanyl)-3-[4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
MOLECULAR FORMULA: C19H38N4O10
MOLECULAR WEIGHT: 482.52582
SMILES: CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)O)NC)O)N)N)N)O)O)O
Structure:

CAS RN: 66307-60-6
CAS Name: acetic acid [1-(4-methoxyphenoxy)-3-(4-phenyl-1-piperazinyl)propan-2-yl] ester
OPENEYE Name: [1-[(4-methoxyphenoxy)methyl]-2-(4-phenylpiperazin-1-yl)ethyl] acetate
IUPAC Name: [1-(4-methoxyphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate
SYSTEMATIC NAME: [1-(4-methoxyphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-yl] ethanoate
MOLECULAR FORMULA: C22H28N2O4
MOLECULAR WEIGHT: 384.46872
SMILES: CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)COC3=CC=C(C=C3)OC
Structure:

CAS RN: 66307-59-3
CAS Name: 1-(3-methoxyphenyl)-4-(3-phenoxypropyl)piperazine
OPENEYE Name: 1-(3-methoxyphenyl)-4-(3-phenoxypropyl)piperazine
IUPAC Name: 1-(3-methoxyphenyl)-4-(3-phenoxypropyl)piperazine
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-4-(3-phenoxypropyl)piperazine
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CCCOC3=CC=CC=C3
Structure:

CAS RN: 66307-58-2
CAS Name: 1-(3-phenoxypropyl)-4-phenylpiperazine
OPENEYE Name: 1-(3-phenoxypropyl)-4-phenyl-piperazine
IUPAC Name: 1-(3-phenoxypropyl)-4-phenylpiperazine
SYSTEMATIC NAME: 1-(3-phenoxypropyl)-4-phenyl-piperazine
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: C1CN(CCN1CCCOC2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 66307-57-1
CAS Name: 1-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-3-phenoxy-2-propanol
OPENEYE Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
IUPAC Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: COC1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O)OC
Structure:

CAS RN: 66307-55-9
CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-3-phenoxy-2-propanol
OPENEYE Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O
Structure:

CAS RN: 66307-52-6
CAS Name: 1-[(4-methylphenyl)thio]-3-(4-phenyl-1-piperazinyl)-2-propanol
OPENEYE Name: 1-(4-phenylpiperazin-1-yl)-3-(p-tolylsulfanyl)propan-2-ol
IUPAC Name: 1-(4-methylphenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H26N2OS
MOLECULAR WEIGHT: 342.49824
SMILES: CC1=CC=C(C=C1)SCC(CN2CCN(CC2)C3=CC=CC=C3)O
Structure:

CAS RN: 66307-50-4
CAS Name: 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
OPENEYE Name: 1-[3-(3-methoxyphenoxy)propyl]-4-phenyl-piperazine
IUPAC Name: 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
SYSTEMATIC NAME: 1-[3-(3-methoxyphenoxy)propyl]-4-phenyl-piperazine
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: COC1=CC(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
Structure:

CAS RN: 66307-49-1
CAS Name: 1-(4-fluorophenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
OPENEYE Name: 1-(4-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
IUPAC Name: 1-(4-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(4-fluoranylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C19H23FN2O2
MOLECULAR WEIGHT: 330.396523
SMILES: C1CN(CCN1CC(COC2=CC=C(C=C2)F)O)C3=CC=CC=C3
Structure:

CAS RN: 66307-48-0
CAS Name: 1-(3-fluorophenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
OPENEYE Name: 1-(3-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
IUPAC Name: 1-(3-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(3-fluoranylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C19H23FN2O2
MOLECULAR WEIGHT: 330.396523
SMILES: C1CN(CCN1CC(COC2=CC(=CC=C2)F)O)C3=CC=CC=C3
Structure:

CAS RN: 66307-46-8
CAS Name: 1-(3,4-dichlorophenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
OPENEYE Name: 1-(3,4-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
IUPAC Name: 1-(3,4-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-[3,4-bis(chloranyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C19H22Cl2N2O2
MOLECULAR WEIGHT: 381.29618
SMILES: C1CN(CCN1CC(COC2=CC(=C(C=C2)Cl)Cl)O)C3=CC=CC=C3
Structure:

CAS RN: 66287-64-7
CAS Name: 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]-2-propanol; hexanedioic acid
OPENEYE Name: adipic acid; 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol
IUPAC Name: 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol; hexanedioic acid
SYSTEMATIC NAME: 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol; hexanedioic acid
MOLECULAR FORMULA: C22H35NO8
MOLECULAR WEIGHT: 441.5152
SMILES: CC(C)(C)NCC(COC1=CC=CC=C1C2OCCO2)O.C(CCC(=O)O)CC(=O)O
Structure:

CAS RN: 66287-62-5
CAS Name: 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(propan-2-ylamino)-2-propanol; hexanedioic acid
OPENEYE Name: adipic acid; 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(isopropylamino)propan-2-ol
IUPAC Name: 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; hexanedioic acid
SYSTEMATIC NAME: 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; hexanedioic acid
MOLECULAR FORMULA: C21H33NO8
MOLECULAR WEIGHT: 427.48862
SMILES: CC(C)NCC(COC1=CC=CC=C1C2OCCO2)O.C(CCC(=O)O)CC(=O)O
Structure:

CAS RN: 66285-10-7
CAS Name: 3-amino-4-(4-morpholinyl)-1-benzothiopyran-2-one
OPENEYE Name: 3-amino-4-morpholino-thiochromen-2-one
IUPAC Name: 3-amino-4-morpholin-4-ylthiochromen-2-one
SYSTEMATIC NAME: 3-azanyl-4-morpholin-4-yl-thiochromen-2-one
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: C1COCCN1C2=C(C(=O)SC3=CC=CC=C32)N
Structure:

CAS RN: 66285-07-2
CAS Name: 3-amino-4-(methylamino)-1-benzothiopyran-2-one
OPENEYE Name: 3-amino-4-(methylamino)thiochromen-2-one
IUPAC Name: 3-amino-4-(methylamino)thiochromen-2-one
SYSTEMATIC NAME: 3-azanyl-4-(methylamino)thiochromen-2-one
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: CNC1=C(C(=O)SC2=CC=CC=C21)N
Structure:

CAS RN: 66285-04-9
CAS Name: 3-nitro-4-[(phenylmethyl)amino]-1-benzothiopyran-2-one
OPENEYE Name: 4-(benzylamino)-3-nitro-thiochromen-2-one
IUPAC Name: 4-(benzylamino)-3-nitrothiochromen-2-one
SYSTEMATIC NAME: 3-nitro-4-[(phenylmethyl)amino]thiochromen-2-one
MOLECULAR FORMULA: C16H12N2O3S
MOLECULAR WEIGHT: 312.34308
SMILES: C1=CC=C(C=C1)CNC2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]
Structure:

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