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
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