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

Systemtic Name: 7-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide Openeye Name: 7-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide CAS Name: 7-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide IUPAC Name: 7-[(4-phenylphenyl)methyl]-3,9-dihydropurin-7-ium-6-one bromide Traditional Name: 7-(4-phenylbenzyl)-3,9-dihydropurin-7-ium-6-one bromide Formula: C18H15BrN4O MolecularWeight: 383.2419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C[N+]3=CNC4=C3C(=O)N=CN4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[N+]3=CNC4=C3C(=O)N=CN4.[Br-]

InChI

InChI=1S/C18H14N4O.BrH/c23-18-16-17(19-11-20-18)21-12-22(16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14;/h1-9,11-12H,10H2,(H,19,20,23);1H