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

Systemtic Name: N6-methoxy-N2,9-dimethyl-7-(phenylmethyl)purin-9-ium-2,6-diamine bromide Openeye Name: 7-benzyl-N6-methoxy-N2,9-dimethyl-purin-9-ium-2,6-diamine bromide CAS Name: N6-methoxy-N2,9-dimethyl-7-(phenylmethyl)purin-9-ium-2,6-diamine bromide IUPAC Name: 7-benzyl-6-N-methoxy-2-N,9-dimethylpurin-9-ium-2,6-diamine bromide Traditional Name: [7-benzyl-6-(methoxyamino)-9-methyl-purin-9-ium-2-yl]-methyl-amine bromide Formula: C15H19BrN6O MolecularWeight: 379.25496

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)NOC)N(C=[N+]2C)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CNC1=NC2=C(C(=N1)NOC)N(C=[N+]2C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H19N6O.BrH/c1-16-15-17-13(19-22-3)12-14(18-15)20(2)10-21(12)9-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3,(H2,16,17,18,19);1H/q+1;/p-1