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

Systemtic Name: N,2-dimethoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine bromide Openeye Name: 7-benzyl-N,2-dimethoxy-9-methyl-purin-9-ium-6-amine bromide CAS Name: N,2-dimethoxy-9-methyl-7-(phenylmethyl)-6-purin-9-iumamine bromide IUPAC Name: 7-benzyl-N,2-dimethoxy-9-methylpurin-9-ium-6-amine bromide Traditional Name: (7-benzyl-2-methoxy-9-methyl-purin-9-ium-6-yl)-methoxy-amine bromide Formula: C15H18BrN5O2 MolecularWeight: 380.23972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N5O2.BrH/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);1H/q+1;/p-1