9-methyl-N-phenylmethoxy-7-(phenylmethyl)purin-9-ium-6-amine

Systemtic Name: 9-methyl-N-phenylmethoxy-7-(phenylmethyl)purin-9-ium-6-amine Openeye Name: 7-benzyl-N-benzyloxy-9-methyl-purin-9-ium-6-amine CAS Name: 9-methyl-N-phenylmethoxy-7-(phenylmethyl)-6-purin-9-iumamine IUPAC Name: 7-benzyl-9-methyl-N-phenylmethoxypurin-9-ium-6-amine Traditional Name: benzoxy-(7-benzyl-9-methyl-purin-9-ium-6-yl)amine Formula: C20H20N5O+ MolecularWeight: 346.4057

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=CN=C2NOCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CN(C2=C1N=CN=C2NOCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N5O/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,(H,21,22,23)/q+1