Isocaffeine

Molecular Formula: C8H10N4O2


InChI: InChI=1/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3

InChIKey: InChIKey=LPHGQDQBBGAPDZ-UHFFFAOYAK
SMILES: CN1C=NC2=C1N(C(=O)N(C2=O)C)C

Names:
    EINECS 208-267-7
    Isocaffeine (8CI)
    Isocaffeine
    NSC 28332
    1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl- (9CI)
    1,3,9-trimethylpurine-2,6-dione
    1,3,9-Trimethylxanthine
    3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
    519-32-4

Registries:
    PubChem CID 1326
    PubChem ID 206158