9-[(3-nitrophenyl)methyl]-3H-purine-6-thione

Molecular Formula: C12H9N5O2S


InChI: InChI=1/C12H9N5O2S/c18-17(19)9-3-1-2-8(4-9)5-16-7-15-10-11(16)13-6-14-12(10)20/h1-4,6-7H,5H2,(H,13,14,20)/f/h13H

InChIKey: InChIKey=BDUDANWNHMTVTB-NDKGDYFDCM
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2NC=NC3=S

Names:
    NSC59396
    6945-06-8
    9-[(3-nitrophenyl)methyl]-3H-purine-6-thione

Registries:
    PubChem CID 4655533
    PubChem ID 107652