2-(5H-purin-6-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(5H-purin-6-ylsulfanyl)ethanoic acid Openeye Name: 2-(5H-purin-6-ylsulfanyl)acetic acid CAS Name: 2-(5H-purin-6-ylthio)acetic acid IUPAC Name: 2-(5H-purin-6-ylsulfanyl)acetic acid Traditional Name: 2-(5H-purin-6-ylthio)acetic acid Formula: C7H6N4O2S MolecularWeight: 210.21314

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=CN=C2SCC(=O)O

Isomeric SMILES

C1=NC2C(=N1)N=CN=C2SCC(=O)O

InChI

InChI=1S/C7H6N4O2S/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7/h2-3,5H,1H2,(H,12,13)