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

Systemtic Name: 9-methyl-7-oxidanidyl-6-[(phenylmethyl)amino]purin-7-ium-8-carboxylate Openeye Name: 6-(benzylamino)-9-methyl-7-oxido-purin-7-ium-8-carboxylate CAS Name: 9-methyl-7-oxido-6-[(phenylmethyl)amino]-8-purin-7-iumcarboxylate IUPAC Name: 6-(benzylamino)-9-methyl-7-oxidopurin-7-ium-8-carboxylate Traditional Name: 6-(benzylamino)-9-methyl-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)NCC3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]

Isomeric SMILES

CN1C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]

InChI

InChI=1S/C14H13N5O3/c1-18-12-10(19(22)13(18)14(20)21)11(16-8-17-12)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,20,21)(H,15,16,17)/p-1