6-[(2-nitrophenyl)methylsulfanyl]-7H-purine

Molecular Formula: C12H9N5O2S


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

InChIKey: InChIKey=PKBWMRARESWCBX-NDKGDYFDCY
SMILES: C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Names:
    6-[(2-nitrophenyl)methylsulfanyl]-7H-purine

Registries:
    PubChem CID 95844
    PubChem ID 10227644