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

Molecular Formula: C₁₀H₁₂N₄O₄

InChI: InChI=1/C10H12N4O4/c1-13-8-7(9(17)14(2)10(13)18)11-5(12-8)3-4-6(15)16/h3-4H2,1-2H3,(H,11,12)(H,15,16)/f/h11,15H

InChIKey: InChIKey=RJXYOFPNOBNMOX-KNVRETAMCO
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC(=O)O

Names:
    NSC14372
    3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoic acid
    5438-69-7
    8-Theophyllinepropionic acid

Registries:
    PubChem CID 225218
    PubChem ID 78567