9-methyl-6-[methyl(phenyl)amino]-7-oxidanidyl-purin-7-ium-8-carboxylate

Systemtic Name: 9-methyl-6-[methyl(phenyl)amino]-7-oxidanidyl-purin-7-ium-8-carboxylate Openeye Name: 9-methyl-6-(N-methylanilino)-7-oxido-purin-7-ium-8-carboxylate CAS Name: 9-methyl-6-(N-methylanilino)-7-oxido-8-purin-7-iumcarboxylate IUPAC Name: 9-methyl-6-(N-methylanilino)-7-oxidopurin-7-ium-8-carboxylate Traditional Name: 9-methyl-6-(N-methylanilino)-7-oxido-purin-7-ium-8-carboxylate Formula: C14H12N5O3- MolecularWeight: 298.27678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N(C)C3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]

Isomeric SMILES

CN1C2=C(C(=NC=N2)N(C)C3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]

InChI

InChI=1S/C14H13N5O3/c1-17(9-6-4-3-5-7-9)11-10-12(16-8-15-11)18(2)13(14(20)21)19(10)22/h3-8H,1-2H3,(H,20,21)/p-1