2-ethoxy-N-methoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine bromide

Systemtic Name: 2-ethoxy-N-methoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine bromide Openeye Name: 7-benzyl-2-ethoxy-N-methoxy-9-methyl-purin-9-ium-6-amine bromide CAS Name: 2-ethoxy-N-methoxy-9-methyl-7-(phenylmethyl)-6-purin-9-iumamine bromide IUPAC Name: 7-benzyl-2-ethoxy-N-methoxy-9-methylpurin-9-ium-6-amine bromide Traditional Name: (7-benzyl-2-ethoxy-9-methyl-purin-9-ium-6-yl)-methoxy-amine bromide Formula: C16H20BrN5O2 MolecularWeight: 394.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=N1)NOC)N(C=[N+]2C)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC1=NC2=C(C(=N1)NOC)N(C=[N+]2C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H20N5O2.BrH/c1-4-23-16-17-14(19-22-3)13-15(18-16)20(2)11-21(13)10-12-8-6-5-7-9-12;/h5-9,11H,4,10H2,1-3H3,(H,17,18,19);1H/q+1;/p-1