7-(naphthalen-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide

Systemtic Name: 7-(naphthalen-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide Openeye Name: 7-(2-naphthylmethyl)-8-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide CAS Name: 7-(2-naphthalenylmethyl)-8-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide IUPAC Name: 7-(naphthalen-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide Traditional Name: 7-(2-naphthylmethyl)-8-(4-phenylbenzyl)-3,9-dihydropurin-7-ium-6-one bromide Formula: C29H23BrN4O MolecularWeight: 523.42312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC3=[N+](C4=C(N3)NC=NC4=O)CC5=CC6=CC=CC=C6C=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC3=[N+](C4=C(N3)NC=NC4=O)CC5=CC6=CC=CC=C6C=C5.[Br-]

InChI

InChI=1S/C29H22N4O.BrH/c34-29-27-28(30-19-31-29)32-26(17-20-10-13-24(14-11-20)22-6-2-1-3-7-22)33(27)18-21-12-15-23-8-4-5-9-25(23)16-21;/h1-16,19H,17-18H2,(H,30,31,34);1H