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

Systemtic Name: 1,7-dimethyl-9-(4-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1,7-dimethyl-3-phenacyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1,7-dimethyl-9-(4-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1,7-dimethyl-9-(4-methylphenyl)-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1,7-dimethyl-3-phenacyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H25N5O3+2 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C25H25N5O3/c1-16-9-11-19(12-10-16)28-13-17(2)14-29-21-22(26-24(28)29)27(3)25(33)30(23(21)32)15-20(31)18-7-5-4-6-8-18/h4-12,17H,13-15H2,1-3H3/q+2