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

Systemtic Name: 4-methyl-6-(4-methylphenyl)-2-(3-phenylpropyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 4-methyl-2-(3-phenylpropyl)-6-(p-tolyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 4-methyl-6-(4-methylphenyl)-2-(3-phenylpropyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 4-methyl-6-(4-methylphenyl)-2-(3-phenylpropyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 4-methyl-2-(3-phenylpropyl)-6-(p-tolyl)-7,8-dihydro-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)CCCC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2/c1-17-10-12-19(13-11-17)27-15-16-28-20-21(25-23(27)28)26(2)24(31)29(22(20)30)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3/p+1