7-(4-bromophenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(p-tolyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(p-tolyl)-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C22H19BrN5O2+ MolecularWeight: 465.32256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H18BrN5O2/c1-13-4-10-16(11-5-13)28-17(14-6-8-15(23)9-7-14)12-27-18-19(24-21(27)28)25(2)22(30)26(3)20(18)29/h4-12H,1-3H3/p+1