3-[(3-methyl-2,6-dioxo-7-prop-2-enyl-9H-purin-8-yl)sulfanyl]propanoate

Molecular Formula: C12H14N4O4S


InChI: InChI=1/C12H14N4O4S/c1-3-5-16-8-9(15(2)11(20)14-10(8)19)13-12(16)21-6-4-7(17)18/h3H,1,4-6H2,2H3,(H2,14,17,18,19,20)/f/h13-14H

InChIKey: InChIKey=YEKOKHVMCOINPY-KGCNKATMCN
SMILES: CN1C2=C(C(=O)NC1=O)[N+](=C(N2)SCCC(=O)[O-])CC=C

Names:
    3-[(3-methyl-2,6-dioxo-7-prop-2-enyl-9H-purin-8-yl)sulfanyl]propanoate

Registries:
    PubChem CID 4124591
    PubChem ID 6055106