1-methyl-9-(3-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 1-methyl-9-(3-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1-methyl-9-(m-tolyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1-methyl-9-(3-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1-methyl-9-(3-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1-methyl-9-(m-tolyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H23N5O3+2 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCC[N+]3=C4C(=[N+](C(=O)N(C4=O)CC(=O)C5=CC=CC=C5)C)N=C23

Isomeric SMILES

CC1=CC(=CC=C1)N2CCC[N+]3=C4C(=[N+](C(=O)N(C4=O)CC(=O)C5=CC=CC=C5)C)N=C23

InChI

InChI=1S/C24H23N5O3/c1-16-8-6-11-18(14-16)27-12-7-13-28-20-21(25-23(27)28)26(2)24(32)29(22(20)31)15-19(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3/q+2