4-methyl-6-(3-methylphenyl)-2-[(2R)-3-oxidanylidenebutan-2-yl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-6-(3-methylphenyl)-2-[(2R)-3-oxidanylidenebutan-2-yl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-[(1R)-1-methyl-2-oxo-propyl]-6-(m-tolyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-6-(3-methylphenyl)-2-[(2R)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-6-(3-methylphenyl)-2-[(2R)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-[(1R)-2-keto-1-methyl-propyl]-4-methyl-6-(m-tolyl)-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)C(C)C(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)[C@H](C)C(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c1-15-9-8-12-19(13-15)30-20(18-10-6-5-7-11-18)14-28-21-22(26-24(28)30)27(4)25(33)29(23(21)32)16(2)17(3)31/h5-14,16H,1-4H3/t16-/m1/s1