sodium 3,9-dihydropurin-7-ide-2,6,8-trione hydrate

Systemtic Name: sodium 3,9-dihydropurin-7-ide-2,6,8-trione hydrate Openeye Name: sodium 3,9-dihydropurin-7-ide-2,6,8-trione hydrate CAS Name: sodium 3,9-dihydropurin-7-ide-2,6,8-trione hydrate IUPAC Name: sodium 3,9-dihydropurin-7-ide-2,6,8-trione hydrate Traditional Name: sodium 3,9-dihydropurin-7-ide-2,6,8-trione hydrate Formula: C5H5N4NaO4 MolecularWeight: 208.10737

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Descriptors Computed from Structure

Canonical SMILES:

C12=C(NC(=O)NC1=O)NC(=O)[N-]2.O.[Na+]

Isomeric SMILES

C12=C(NC(=O)NC1=O)NC(=O)[N-]2.O.[Na+]

InChI

InChI=1S/C5H4N4O3.Na.H2O/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;/h(H4,6,7,8,9,10,11,12);;1H2/q;+1;/p-1