3-oxidanylidene-4,7-dihydropurin-3-ium-6-sulfonic acid

Systemtic Name: 3-oxidanylidene-4,7-dihydropurin-3-ium-6-sulfonic acid Openeye Name: 3-oxo-4,7-dihydropurin-3-ium-6-sulfonic acid CAS Name: 3-oxo-4,7-dihydropurin-3-ium-6-sulfonic acid IUPAC Name: 3-oxo-4,7-dihydropurin-3-ium-6-sulfonic acid Traditional Name: 3-keto-4,7-dihydropurin-3-ium-6-sulfonic acid Formula: C5H5N4O4S+ MolecularWeight: 217.1826

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=C(N=C[N+]2=O)S(=O)(=O)O)N1

Isomeric SMILES

C1=NC2C(=C(N=C[N+]2=O)S(=O)(=O)O)N1

InChI

InChI=1S/C5H4N4O4S/c10-9-2-8-5(14(11,12)13)3-4(9)7-1-6-3/h1-2,4H,(H-,6,7,11,12,13)/p+1