3-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid

Molecular Formula: C₁₃H₁₈N₄O₄S

InChI: InChI=1/C13H18N4O4S/c1-3-4-6-17-9-10(16(2)12(21)15-11(9)20)14-13(17)22-7-5-8(18)19/h3-7H2,1-2H3,(H,18,19)(H,15,20,21)/f/h15,18H

InChIKey: InChIKey=NBRHWQVQTYQTDY-NMHRWYTECL
SMILES: CCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

Names:
    3-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid

Registries:
    PubChem CID 3126085
    PubChem ID 4823656