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

Systemtic Name: 2-oxidanylidene-3-(7H-purin-6-ylsulfanyl)propanoic acid Openeye Name: 2-oxo-3-(7H-purin-6-ylsulfanyl)propanoic acid CAS Name: 2-oxo-3-(7H-purin-6-ylthio)propanoic acid IUPAC Name: 2-oxo-3-(7H-purin-6-ylsulfanyl)propanoic acid Traditional Name: 2-keto-3-(7H-purin-6-ylthio)propionic acid Formula: C8H6N4O3S MolecularWeight: 238.22324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N4O3S/c13-4(8(14)15)1-16-7-5-6(10-2-9-5)11-3-12-7/h2-3H,1H2,(H,14,15)(H,9,10,11,12)