7-[(4-Chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione

7-[(4-chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione

Also Known As: Oprea1_252383|Oprea1_403934|BAS 00552998|NCGC00286367-01|AB00817846-06|7-[(4-chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione|AG-690/11451111|7-(4-Chloro-benzyl)-3-methyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione|7-(4-chlorobenzyl)-3-methyl-8-(methylthio)xanthine|SR-01000408446-1|7-(4-chlorobenzyl)-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-(4-chlorobenzyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione|7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylthio)purine-2,6-dione|7-[(4-chlorophenyl)methyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione|7-(4-chlorobenzyl)-3-methyl-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione|7-[(4-Chlorophenyl)methyl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-3-methyl-8-methylthio-1,3,7-trihydropurine-2,6-dion e|7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Molecular Formula	C14H13ClN4O2S
Molecular Weight	336.04477 g/mol
LogP	2.5
Topological Polar Surface Area	92.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	336.04477
Monoisotopic Mass	336.04477
Heavy Atoms	22
Complexity	458.0

Chemical Identifiers

CAS Number	316357-92-3
SMILES	CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC3=CC=C(C=C3)Cl
InChIKey	VZCMJXMQPOJJKU-UHFFFAOYSA-N