sodium purine-1-sulfinate dihydrate

Systemtic Name: sodium purine-1-sulfinate dihydrate Openeye Name: sodium purine-1-sulfinate dihydrate CAS Name: sodium 1-purinesulfinate dihydrate IUPAC Name: sodium purine-1-sulfinate dihydrate Traditional Name: sodium purine-1-sulfinate dihydrate Formula: C5H7N4NaO4S MolecularWeight: 242.18825

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N2)N=CN1S(=O)[O-].O.O.[Na+]

Isomeric SMILES

C1=C2C(=NC=N2)N=CN1S(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C5H4N4O2S.Na.2H2O/c10-12(11)9-1-4-5(8-3-9)7-2-6-4;;;/h1-3H,(H,10,11);;2*1H2/q;+1;;/p-1