AC1LKB13

8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Also Known As: Oprea1_174766|8-((2-chloro-6-fluorobenzyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione|AB00673517-01|SR-01000497396-1|F1167-0056|8-[(2-chloro-6-fluorobenzyl)thio]-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione|8-[(2-chloro-6-fluorobenzyl)sulfanyl]-6-hydroxy-3-methyl-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one|8-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-7-(3-methylbutyl)-1,3,7-trihy dropurine-2,6-dione|8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C18H20ClFN4O2S
Molecular Weight	410.09796 g/mol
LogP	3.5542
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	410.09796
Monoisotopic Mass	410.09796
Heavy Atoms	27
Complexity	1082.9103

Chemical Identifiers

CAS Number	5685-74-5
SMILES	CC(C)CCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C