3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione

Molecular Formula: C₁₂H₁₈N₄O₂

InChI: InChI=1/C12H18N4O2/c1-8(2)5-6-16-11(17)9-10(13-7-14(9)3)15(4)12(16)18/h7-8H,5-6H2,1-4H3

InChIKey: InChIKey=VLJKEQVJDMCCRE-UHFFFAOYAY
SMILES: CC(C)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Names:
    NSC 3112
    Theobromine, 1-isopentyl-
    1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(3-methylbutyl)- (9CI)
    1-Isoamyltheobromine
    1-Isoamyl theobromine
    1-Isoamyl-3,7-dimethylxanthine
    1024-65-3
    3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione

Registries:
    PubChem CID 70561
    PubChem ID 212743