6-(3,5-dimethylphenyl)-4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,5-dimethylphenyl)-4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(3,5-dimethylphenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,5-dimethylphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,5-dimethylphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(3,5-dimethylphenyl)-4-methyl-7-phenyl-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(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C)C5=CC=CC=C5)C

InChI

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