AC1LD54O

7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione

Also Known As: UPCMLD0ENAT5731404:001|7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|AB00392858-04|SR-01000497352-1|F1191-0121|7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione|7-(2-chlorobenzyl)-8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-(2-CL-BENZYL)-8-((3-HO-PROPYL)THIO)-1,3-DI-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylthio)-1,3-dimethyl-1,3,7-trihydro purine-2,6-dione

Molecular Formula	C17H19ClN4O3S
Molecular Weight	394.08664 g/mol
LogP	2.3
Topological Polar Surface Area	104.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	394.08664
Monoisotopic Mass	394.08664
Heavy Atoms	26
Complexity	540.0

Chemical Identifiers

CAS Number	442865-01-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl
InChIKey	GIAPQSNCTCTTML-UHFFFAOYSA-N