sodium 2-(4,6-dihydro-1H-purin-6-ylsulfanyl)ethanoate

Systemtic Name: sodium 2-(4,6-dihydro-1H-purin-6-ylsulfanyl)ethanoate Openeye Name: sodium 2-(4,6-dihydro-1H-purin-6-ylsulfanyl)acetate CAS Name: sodium 2-(4,6-dihydro-1H-purin-6-ylthio)acetate IUPAC Name: sodium 2-(4,6-dihydro-1H-purin-6-ylsulfanyl)acetate Traditional Name: sodium 2-(4,6-dihydro-1H-purin-6-ylthio)acetate Formula: C7H7N4NaO2S MolecularWeight: 234.21085

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=NC=N2)C(N1)SCC(=O)[O-].[Na+]

Isomeric SMILES

C1=NC2C(=NC=N2)C(N1)SCC(=O)[O-].[Na+]

InChI

InChI=1S/C7H8N4O2S.Na/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7;/h2-3,6-7H,1H2,(H,10,11)(H,12,13);/q;+1/p-1