AC1MJ7WL

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

Also Known As: Oprea1_227708|Oprea1_716863|BAS 00458064|AG-690/11060012|7-(3-(4-CL-PHENOXY)-2-HO-PR)-8-ISOPROPYLSULFANYL-3-ME-3,7-2H-PURINE-2,6-DIONE|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(isopropylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(propan-2-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-2H-purin-2-one|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C18H21ClN4O4S
Molecular Weight	424.0972 g/mol
LogP	2.0171
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	424.0972
Monoisotopic Mass	424.0972
Heavy Atoms	28
Complexity	1087.8892

Chemical Identifiers

CAS Number	331675-35-5
SMILES	CC(C)SC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C