sodium 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: sodium 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: sodium 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: sodium 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetate IUPAC Name: sodium 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: sodium 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetate Formula: C9H9N4NaO4 MolecularWeight: 260.18193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-].[Na+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-].[Na+]

InChI

InChI=1S/C9H10N4O4.Na/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1