TPSF

8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Also Known As: TPSF|6-Thio-8-(3'-p-fluorobenzoylpropyl)thiotheophylline|Theophylline, 8-(3-p-fluorobenzoylpropyl)thio-6-thio-|Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)-|8-[[3-(p-Fluorobenzoyl)propyl]thio]theophylline|Theophylline, 8-((3-(p-fluorobenzoyl)propyl)thio)-6-thio-|8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|Theophylline, 8-[[3-(p-fluorobenzoyl)propyl]thio]-6-thio-|8-[[3-(4-Fluorobenzoyl)propyl]thio]-1,7-dihydro-1,3-dimethyl-6-thioxo-2H-purin-2-one|8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sul|p-Fluoro-4-(1,2,3,6,-tetrahydro-1,3-dimethyl-2-oxo-6-thionpurin-8-ylthio)butyrophenone|Theophylline, 8-((3-(p-fluorobenzoyl)propyl)thio)-6-thio-(8CI)|Butyrophenone,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)-|1,3-Dimethyl-8-[[4-oxo-4-(4-fluorophenyl)butyl]thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one|4 -Fluoro-gamma-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thioxo-7H-purin-8-ylthio)butyrophenone|8-{[4-(4-Fluorophenyl)-4-oxobutyl]sulfanyl}-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|8-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one

Molecular Formula	C17H17FN4O2S2
Molecular Weight	392.0777 g/mol
LogP	3.22389
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	392.0777
Monoisotopic Mass	392.0777
Heavy Atoms	26
Complexity	1083.0664

Chemical Identifiers

CAS Number	6505-98-2
SMILES	CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC(=O)C3=CC=C(C=C3)F