1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate

Molecular Formula: C7H9N5O5


InChI: InChI=1/C7H7N5O4.H2O/c1-10-4-3(5(13)11(2)7(10)14)8-6(9-4)12(15)16;/h1-2H3,(H,8,9);1H2/f/h8H;

InChIKey: InChIKey=CORJLKLYVPFLSC-LUXJPWOACR
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+](=O)[O-].O

Names:
    1,3-dimethyl-8-nitro-7H-purine-2,6-dione hydrate

Registries:
    PubChem CID 2802521
    PubChem ID 3259538