N-methoxy-2,9-dimethyl-7-(phenylmethyl)purin-9-ium-6-amine bromide

Systemtic Name: N-methoxy-2,9-dimethyl-7-(phenylmethyl)purin-9-ium-6-amine bromide Openeye Name: 7-benzyl-N-methoxy-2,9-dimethyl-purin-9-ium-6-amine bromide CAS Name: N-methoxy-2,9-dimethyl-7-(phenylmethyl)-6-purin-9-iumamine bromide IUPAC Name: 7-benzyl-N-methoxy-2,9-dimethylpurin-9-ium-6-amine bromide Traditional Name: (7-benzyl-2,9-dimethyl-purin-9-ium-6-yl)-methoxy-amine bromide Formula: C15H18BrN5O MolecularWeight: 364.24032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NOC)N(C=[N+]2C)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=NC2=C(C(=N1)NOC)N(C=[N+]2C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H18N5O.BrH/c1-11-16-14(18-21-3)13-15(17-11)19(2)10-20(13)9-12-7-5-4-6-8-12;/h4-8,10H,9H2,1-3H3,(H,16,17,18);1H/q+1;/p-1