[9-methyl-7-(phenylmethyl)purin-9-ium-6-yl]-phenylmethoxy-azanide

Systemtic Name: [9-methyl-7-(phenylmethyl)purin-9-ium-6-yl]-phenylmethoxy-azanide Openeye Name: (7-benzyl-9-methyl-purin-9-ium-6-yl)-benzyloxy-azanide CAS Name: [9-methyl-7-(phenylmethyl)-6-purin-9-iumyl]-phenylmethoxyazanide IUPAC Name: (7-benzyl-9-methylpurin-9-ium-6-yl)-phenylmethoxyazanide Traditional Name: benzoxy-(7-benzyl-9-methyl-purin-9-ium-6-yl)azanide Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C(N=CN=C21)[N-]OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CN(C2=C(N=CN=C21)[N-]OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O/c1-24-15-25(12-16-8-4-2-5-9-16)18-19(21-14-22-20(18)24)23-26-13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3