Xanthobine

Molecular Formula: C8H9BrN4O2


InChI: InChI=1/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3

InChIKey: InChIKey=YRLRORFORQUTKS-UHFFFAOYAA
SMILES: CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Names:
    Caffeine, 8-bromo-
    NSC 11255
    Xanthobin
    Xanthobine
    1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3,7-trimethyl-
    10381-82-5
    8-Bromocaffeine
    8-bromo-1,3,7-trimethyl-purine-2,6-dione
    8-Caffeine bromide

Registries:
    PubChem CID 64127
    PubChem ID 206170