3-butyl-7-ethyl-8-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]purine-2,6-dione

Molecular Formula: C24H25N5O4S


InChI: InChI=1/C24H25N5O4S/c1-4-6-13-28-22-20(23(30)26-24(28)31)27(5-2)21(25-22)16-9-12-19(18(14-16)29(32)33)34-17-10-7-15(3)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H,26,30,31)/f/h26H

InChIKey: InChIKey=YZDKWYNSSXRGRP-HXTKINSTCH
SMILES: CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-])CC

Names:
    3-butyl-7-ethyl-8-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]purine-2,6-dione

Registries:
    PubChem CID 3575926
    PubChem ID 4847203