2-azanyl-7,9-bis(naphthalen-2-ylmethyl)-3H-purin-9-ium-6-one bromide

Systemtic Name: 2-azanyl-7,9-bis(naphthalen-2-ylmethyl)-3H-purin-9-ium-6-one bromide Openeye Name: 2-amino-7,9-bis(2-naphthylmethyl)-3H-purin-9-ium-6-one bromide CAS Name: 2-amino-7,9-bis(2-naphthalenylmethyl)-3H-purin-9-ium-6-one bromide IUPAC Name: 2-amino-7,9-bis(naphthalen-2-ylmethyl)-3H-purin-9-ium-6-one bromide Traditional Name: 2-amino-7,9-bis(2-naphthylmethyl)-3H-purin-9-ium-6-one bromide Formula: C27H22BrN5O MolecularWeight: 512.40048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=C3C(=O)N=C(N4)N)CC5=CC6=CC=CC=C6C=C5.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=C3C(=O)N=C(N4)N)CC5=CC6=CC=CC=C6C=C5.[Br-]

InChI

InChI=1S/C27H21N5O.BrH/c28-27-29-25-24(26(33)30-27)31(15-18-9-11-20-5-1-3-7-22(20)13-18)17-32(25)16-19-10-12-21-6-2-4-8-23(21)14-19;/h1-14,17H,15-16H2,(H2-,28,29,30,33);1H