4,7,8-trimethyl-6-(2-methylphenyl)-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-6-(2-methylphenyl)-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-(o-tolyl)-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-(2-methylphenyl)-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(2-methylphenyl)-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-(o-tolyl)-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C25H23N5O3/c1-15-10-8-9-13-19(15)29-16(2)17(3)30-21-22(26-24(29)30)27(4)25(33)28(23(21)32)14-20(31)18-11-6-5-7-12-18/h5-13H,14H2,1-4H3