5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid

Molecular Formula: C12H16N4O4


InChI: InChI=1/C12H16N4O4/c1-15-10-9(11(19)16(2)12(15)20)13-7(14-10)5-3-4-6-8(17)18/h3-6H2,1-2H3,(H,13,14)(H,17,18)/f/h13,17H

InChIKey: InChIKey=INKHLBGUHJMJGC-DXIHCBRPCQ
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC(=O)O

Names:
    NSC14119
    5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid
    5432-58-6
    8-Theophyllinevaleric acid

Registries:
    PubChem CID 225054
    PubChem ID 78353