3,7-bis(phenylmethyl)purin-3-ium-6-amine bromide

Systemtic Name: 3,7-bis(phenylmethyl)purin-3-ium-6-amine bromide Openeye Name: 3,7-dibenzylpurin-3-ium-6-amine bromide CAS Name: 3,7-bis(phenylmethyl)-6-purin-3-iumamine bromide IUPAC Name: 3,7-dibenzylpurin-3-ium-6-amine bromide Traditional Name: (3,7-dibenzylpurin-3-ium-6-yl)amine bromide Formula: C19H18BrN5 MolecularWeight: 396.28372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=[N+](C=NC(=C32)N)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=[N+](C=NC(=C32)N)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H17N5.BrH/c20-18-17-19(22-14-23(17)11-15-7-3-1-4-8-15)24(13-21-18)12-16-9-5-2-6-10-16;/h1-10,13-14,20H,11-12H2;1H