Allyltheobromine

Molecular Formula: C₁₀H₁₂N₄O₂

InChI: InChI=1/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4-6H,1-3H3/b5-4+

InChIKey: InChIKey=MBQBMQKPIQJSGV-SNAWJCMRBU
SMILES: CC=CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Names:
    Allyltheobromine
    BRN 0226010
    NSC 40882
    Theobromine, 1-allyl-
    1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI)
    1-Allyltheobromine
    2530-99-6
    3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione
    5-26-13-00565 (Beilstein Handbook Reference)

Registries:
    PubChem CID 6436329
    PubChem ID 217892