sodium 6-oxidanylidene-3,7-dihydropurine-2-thiolate

Systemtic Name: sodium 6-oxidanylidene-3,7-dihydropurine-2-thiolate Openeye Name: sodium 6-oxo-3,7-dihydropurine-2-thiolate CAS Name: sodium 6-oxo-3,7-dihydropurine-2-thiolate IUPAC Name: sodium 6-oxo-3,7-dihydropurine-2-thiolate Traditional Name: sodium 6-keto-3,7-dihydropurine-2-thiolate Formula: C5H3N4NaOS MolecularWeight: 193.137763

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N=C(N2)[S-].[Na+]

Isomeric SMILES

C1=NC2=C(N1)C(=O)[15N]=[13C]([15NH]2)[S-].[Na+]

InChI

InChI=1S/C5H4N4OS.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1/i5+1,8+1,9+1;