THEOBROMINE SODIUM ACETATE

Molecular Formula: C₉H₉N₄NaO₄

InChI: InChI=1/C9H10N4O4.Na/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1/fC9H9N4O4.Na/q-1;m

InChIKey: InChIKey=HBRJTAOFEGTXSY-ADHTYPHSCA
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)[O-].[Na+]

Names:
    sodium 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetate
    THEOBROMINE SODIUM ACETATE
    6024-68-6

Registries:
    PubChem CID 22374
    PubChem ID 165038