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

Systemtic Name: 6-(4-chlorophenyl)-4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(4-chlorophenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(4-chlorophenyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H18ClN5O3 MolecularWeight: 447.87372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C23H18ClN5O3/c1-14(30)12-28-21(31)19-20(26(2)23(28)32)25-22-27(19)13-18(15-6-4-3-5-7-15)29(22)17-10-8-16(24)9-11-17/h3-11,13H,12H2,1-2H3