sodium 9-methyl-7-oxidanidyl-6-pyrrolidin-1-yl-purin-7-ium-8-carboxylate

Systemtic Name: sodium 9-methyl-7-oxidanidyl-6-pyrrolidin-1-yl-purin-7-ium-8-carboxylate Openeye Name: sodium 9-methyl-7-oxido-6-pyrrolidin-1-yl-purin-7-ium-8-carboxylate CAS Name: sodium 9-methyl-7-oxido-6-(1-pyrrolidinyl)-8-purin-7-iumcarboxylate IUPAC Name: sodium 9-methyl-7-oxido-6-pyrrolidin-1-ylpurin-7-ium-8-carboxylate Traditional Name: sodium 9-methyl-7-oxido-6-pyrrolidino-purin-7-ium-8-carboxylate Formula: C11H12N5NaO3 MolecularWeight: 285.23445

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N3CCCC3)[N+](=C1C(=O)[O-])[O-].[Na+]

Isomeric SMILES

CN1C2=C(C(=NC=N2)N3CCCC3)[N+](=C1C(=O)[O-])[O-].[Na+]

InChI

InChI=1S/C11H13N5O3.Na/c1-14-8-7(16(19)10(14)11(17)18)9(13-6-12-8)15-4-2-3-5-15;/h6H,2-5H2,1H3,(H,17,18);/q;+1/p-1