sodium 6-(dimethylamino)-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylate

Systemtic Name: sodium 6-(dimethylamino)-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylate Openeye Name: sodium 6-(dimethylamino)-9-methyl-7-oxido-purin-7-ium-8-carboxylate CAS Name: sodium 6-(dimethylamino)-9-methyl-7-oxido-8-purin-7-iumcarboxylate IUPAC Name: sodium 6-(dimethylamino)-9-methyl-7-oxidopurin-7-ium-8-carboxylate Traditional Name: sodium 6-(dimethylamino)-9-methyl-7-oxido-purin-7-ium-8-carboxylate Formula: C9H10N5NaO3 MolecularWeight: 259.19717

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N(C)C)[N+](=C1C(=O)[O-])[O-].[Na+]

Isomeric SMILES

CN1C2=C(C(=NC=N2)N(C)C)[N+](=C1C(=O)[O-])[O-].[Na+]

InChI

InChI=1S/C9H11N5O3.Na/c1-12(2)6-5-7(11-4-10-6)13(3)8(9(15)16)14(5)17;/h4H,1-3H3,(H,15,16);/q;+1/p-1