AC1MY5XW

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Also Known As: Oprea1_288052|NCGC00274705-01|AB00667648-01|AB00667648-02|AG-690/11026015|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|F0373-0683|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(3-methylbutyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-2H-purin-2-one|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(isopentylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C20H25ClN4O4S
Molecular Weight	452.1285 g/mol
LogP	2.6548
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	452.1285
Monoisotopic Mass	452.1285
Heavy Atoms	30
Complexity	1120.7673

Chemical Identifiers

CAS Number	330179-59-4
SMILES	CC(C)CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C