9-methyl-7-oxidanidyl-6-phenylazanyl-purin-7-ium-8-carboxylate

Systemtic Name: 9-methyl-7-oxidanidyl-6-phenylazanyl-purin-7-ium-8-carboxylate Openeye Name: 6-anilino-9-methyl-7-oxido-purin-7-ium-8-carboxylate CAS Name: 6-anilino-9-methyl-7-oxido-8-purin-7-iumcarboxylate IUPAC Name: 6-anilino-9-methyl-7-oxidopurin-7-ium-8-carboxylate Traditional Name: 6-anilino-9-methyl-7-oxido-purin-7-ium-8-carboxylate Formula: C13H10N5O3- MolecularWeight: 284.2502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]

Isomeric SMILES

CN1C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]

InChI

InChI=1S/C13H11N5O3/c1-17-11-9(18(21)12(17)13(19)20)10(14-7-15-11)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,19,20)(H,14,15,16)/p-1