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

Systemtic Name: 4-methyl-6-(4-methylphenyl)-2-(phenylmethyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 2-benzyl-4-methyl-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-(phenylmethyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 2-benzyl-4-methyl-6-(4-methylphenyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 2-benzyl-4-methyl-6-(p-tolyl)-7,8-dihydro-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C22H22N5O2+ MolecularWeight: 388.44238

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c1-15-8-10-17(11-9-15)25-12-13-26-18-19(23-21(25)26)24(2)22(29)27(20(18)28)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3/p+1