purine-2,6-dione; sodium

Systemtic Name: purine-2,6-dione; sodium Openeye Name: purine-2,6-dione; sodium CAS Name: purine-2,6-dione; sodium IUPAC Name: purine-2,6-dione; sodium Traditional Name: sodium; xanthine Formula: C5H2N4NaO2 MolecularWeight: 173.08475

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=O)NC(=O)C2=N1.[Na]

Isomeric SMILES

C1=NC2=NC(=O)NC(=O)C2=N1.[Na]

InChI

InChI=1S/C5H2N4O2.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H,9,10,11);