1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione

Molecular Formula: C11H14N4O2


InChI: InChI=1/C11H14N4O2/c1-5-6-7-12-9-8(13(7)2)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+

InChIKey: InChIKey=NLJFVWINVFJJCG-AATRIKPKBR
SMILES: CC=CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Names:
    CAFFEINE, 8-(PROP-1-ENYL)-
    NSC 101819
    1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)
    1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
    73747-39-4
    8-Prop-1-enylcaffeine

Registries:
    PubChem CID 5380637
    PubChem ID 190381