3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione

3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione

Also Known As: Oprea1_408638|Oprea1_772644|BAS 00844533|3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione|AG-690/12243070|SR-01000506586-1|8-mercapto-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione|F0381-3210|3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-Mercapto-3-methyl-7-(3-methyl-benzyl)-3,7-dihydro-purine-2,6-dione|3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanyl-1,3,7-trihydropurine-2,6-dione

Molecular Formula	C14H14N4O2S
Molecular Weight	302.08374 g/mol
LogP	1.1
Topological Polar Surface Area	96.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	302.08374
Monoisotopic Mass	302.08374
Heavy Atoms	21
Complexity	545.0

Chemical Identifiers

CAS Number	332033-62-2
SMILES	CC1=CC(=CC=C1)CN2C3=C(NC2=S)N(C(=O)NC3=O)C
InChIKey	TUOHWSGPPNXMMY-UHFFFAOYSA-N