1-oxidanyl-3,7-dihydropurine-2,6-dione; pyridine-3-carboxylate

Systemtic Name: 1-oxidanyl-3,7-dihydropurine-2,6-dione; pyridine-3-carboxylate Openeye Name: 1-hydroxy-3,7-dihydropurine-2,6-dione; pyridine-3-carboxylate CAS Name: 1-hydroxy-3,7-dihydropurine-2,6-dione; 3-pyridinecarboxylate IUPAC Name: 1-hydroxy-3,7-dihydropurine-2,6-dione; pyridine-3-carboxylate Traditional Name: 1-hydroxy-7H-xanthine; nicotinate Formula: C11H8N5O5- MolecularWeight: 290.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)[O-].C1=NC2=C(N1)C(=O)N(C(=O)N2)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)[O-].C1=NC2=C(N1)C(=O)N(C(=O)N2)O

InChI

InChI=1S/C6H5NO2.C5H4N4O3/c8-6(9)5-2-1-3-7-4-5;10-4-2-3(7-1-6-2)8-5(11)9(4)12/h1-4H,(H,8,9);1,12H,(H,6,7)(H,8,11)/p-1