1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione

Molecular Formula: C11H14N4O2


InChI: InChI=1/C11H14N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h4-5,7H,6H2,1-3H3/b5-4+

InChIKey: InChIKey=NEXDOZRNANHHKQ-SNAWJCMRBG
SMILES: CC=CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Names:
    NSC 74795
    Theobromine, 1-(2'-butenyl)-
    1-Butyl theobromine
    1-Crotyl theobromine
    1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione
    63906-57-0

Registries:
    PubChem CID 252657
    PubChem ID 215266