sodium 2-[1-methyl-2,6-bis(oxidanylidene)-4,5-dihydro-3H-purin-7-yl]ethanoate

Systemtic Name: sodium 2-[1-methyl-2,6-bis(oxidanylidene)-4,5-dihydro-3H-purin-7-yl]ethanoate Openeye Name: sodium 2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)acetate CAS Name: sodium 2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)acetate IUPAC Name: sodium 2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)acetate Traditional Name: sodium 2-(2,6-diketo-1-methyl-4,5-dihydro-3H-purin-7-yl)acetate Formula: C8H9N4NaO4 MolecularWeight: 248.17123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(NC1=O)N=CN2CC(=O)[O-].[Na+]

Isomeric SMILES

CN1C(=O)C2C(NC1=O)N=CN2CC(=O)[O-].[Na+]

InChI

InChI=1S/C8H10N4O4.Na/c1-11-7(15)5-6(10-8(11)16)9-3-12(5)2-4(13)14;/h3,5-6H,2H2,1H3,(H,10,16)(H,13,14);/q;+1/p-1