N6-methoxy-N2,N2,9-trimethyl-7-(phenylmethyl)purin-9-ium-2,6-diamine bromide

Systemtic Name: N6-methoxy-N2,N2,9-trimethyl-7-(phenylmethyl)purin-9-ium-2,6-diamine bromide Openeye Name: 7-benzyl-N6-methoxy-N2,N2,9-trimethyl-purin-9-ium-2,6-diamine bromide CAS Name: N6-methoxy-N2,N2,9-trimethyl-7-(phenylmethyl)purin-9-ium-2,6-diamine bromide IUPAC Name: 7-benzyl-6-N-methoxy-2-N,2-N,9-trimethylpurin-9-ium-2,6-diamine bromide Traditional Name: [7-benzyl-6-(methoxyamino)-9-methyl-purin-9-ium-2-yl]-dimethyl-amine bromide Formula: C16H21BrN6O MolecularWeight: 393.28154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N6O.BrH/c1-20(2)16-17-14(19-23-4)13-15(18-16)21(3)11-22(13)10-12-8-6-5-7-9-12;/h5-9,11H,10H2,1-4H3,(H,17,18,19);1H/q+1;/p-1