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

Systemtic Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-(p-tolyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-(4-methylphenyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-(p-tolyl)-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=C(C=C4)C)NC5=C3C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=C(C=C4)C)NC5=C3C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C24H23N5O2/c1-5-16-8-10-17(11-9-16)19-14-28-20-21(26(3)24(31)27(4)22(20)30)25-23(28)29(19)18-12-6-15(2)7-13-18/h6-14H,5H2,1-4H3/p+1