6-(dimethylamino)-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylic acid

Systemtic Name: 6-(dimethylamino)-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylic acid Openeye Name: 6-(dimethylamino)-9-methyl-7-oxido-purin-7-ium-8-carboxylic acid CAS Name: 6-(dimethylamino)-9-methyl-7-oxido-8-purin-7-iumcarboxylic acid IUPAC Name: 6-(dimethylamino)-9-methyl-7-oxidopurin-7-ium-8-carboxylic acid Traditional Name: 6-(dimethylamino)-9-methyl-7-oxido-purin-7-ium-8-carboxylic acid Formula: C9H11N5O3 MolecularWeight: 237.21534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O3/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)