N,2-dimethoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine

Systemtic Name: N,2-dimethoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine Openeye Name: 7-benzyl-N,2-dimethoxy-9-methyl-purin-9-ium-6-amine CAS Name: N,2-dimethoxy-9-methyl-7-(phenylmethyl)-6-purin-9-iumamine IUPAC Name: 7-benzyl-N,2-dimethoxy-9-methylpurin-9-ium-6-amine Traditional Name: (7-benzyl-2-methoxy-9-methyl-purin-9-ium-6-yl)-methoxy-amine Formula: C15H18N5O2+ MolecularWeight: 300.33572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=C(N=C2NOC)OC)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1N=C(N=C2NOC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C15H18N5O2/c1-19-10-20(9-11-7-5-4-6-8-11)12-13(18-22-3)16-15(21-2)17-14(12)19/h4-8,10H,9H2,1-3H3,(H,16,17,18)/q+1