9-methyl-2-phenylazanyl-7-(phenylmethyl)purin-9-ium-6-olate

Systemtic Name: 9-methyl-2-phenylazanyl-7-(phenylmethyl)purin-9-ium-6-olate Openeye Name: 2-anilino-7-benzyl-9-methyl-purin-9-ium-6-olate CAS Name: 2-anilino-9-methyl-7-(phenylmethyl)-6-purin-9-iumolate IUPAC Name: 2-anilino-7-benzyl-9-methylpurin-9-ium-6-olate Traditional Name: 2-anilino-7-benzyl-9-methyl-purin-9-ium-6-olate Formula: C19H17N5O MolecularWeight: 331.37118

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=C(N=C2[O-])NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CN(C2=C1N=C(N=C2[O-])NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5O/c1-23-13-24(12-14-8-4-2-5-9-14)16-17(23)21-19(22-18(16)25)20-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H-,20,21,22,25)