3-(7H-purin-6-ylsulfanyl)propanoic acid

Systemtic Name: 3-(7H-purin-6-ylsulfanyl)propanoic acid Openeye Name: 3-(7H-purin-6-ylsulfanyl)propanoic acid CAS Name: 3-(7H-purin-6-ylthio)propanoic acid IUPAC Name: 3-(7H-purin-6-ylsulfanyl)propanoic acid Traditional Name: 3-(7H-purin-6-ylthio)propionic acid Formula: C8H8N4O2S MolecularWeight: 224.23972

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O

InChI

InChI=1S/C8H8N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)