2-[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic acid

Molecular Formula: C₁₂H₁₃ClN₄O₄S

InChI: InChI=1/C12H13ClN4O4S/c1-6(13)3-4-17-8-9(14-12(17)22-5-7(18)19)16(2)11(21)15-10(8)20/h3H,4-5H2,1-2H3,(H,18,19)(H,15,20,21)/f/h15,18H

InChIKey: InChIKey=OORBDRYFOIPBKX-NMHRWYTECD
SMILES: CC(=CCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C)Cl

Names:
    2-[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic acid

Registries:
    PubChem CID 677131
    PubChem ID 4844485