AC1MJ7WI

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

Also Known As: Oprea1_150603|Oprea1_863466|NCGC00274675-01|BAS 00458063|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione|AB00667640-01|AB00667640-02|AG-690/11060011|F0373-0650|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-propylsulfanylpurine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(propylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-propylthio-1,3,7-trihydropu rine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(propylsulfanyl)-3,7-dihydro-2H-purin-2-one

Molecular Formula	C18H21ClN4O4S
Molecular Weight	424.0972 g/mol
LogP	2.0187
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	424.0972
Monoisotopic Mass	424.0972
Heavy Atoms	28
Complexity	1074.1096

Chemical Identifiers

CAS Number	331675-34-4
SMILES	CCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C