1-methyl-2,6-bis(oxidanylidene)-3,9-dihydropurin-3-ium-3-carboxylate chloride

Systemtic Name: 1-methyl-2,6-bis(oxidanylidene)-3,9-dihydropurin-3-ium-3-carboxylate chloride Openeye Name: 1-methyl-2,6-dioxo-3,9-dihydropurin-3-ium-3-carboxylate chloride CAS Name: 1-methyl-2,6-dioxo-3,9-dihydropurin-3-ium-3-carboxylate chloride IUPAC Name: 1-methyl-2,6-dioxo-3,9-dihydropurin-3-ium-3-carboxylate chloride Traditional Name: 2,6-diketo-1-methyl-3,9-dihydropurin-3-ium-3-carboxylate chloride Formula: C7H6ClN4O4- MolecularWeight: 245.59994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC=N2)[NH+](C1=O)C(=O)[O-].[Cl-]

Isomeric SMILES

CN1C(=O)C2=C(NC=N2)[NH+](C1=O)C(=O)[O-].[Cl-]

InChI

InChI=1S/C7H6N4O4.ClH/c1-10-5(12)3-4(9-2-8-3)11(6(10)13)7(14)15;/h2H,1H3,(H,8,9)(H,14,15);1H/p-1