1-(4-chlorophenyl)-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-dione

Systemtic Name: 1-(4-chlorophenyl)-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-dione Openeye Name: 1-(4-chlorophenyl)-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-dione CAS Name: 1-(4-chlorophenyl)-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-dione IUPAC Name: 1-(4-chlorophenyl)-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-dione Traditional Name: 1-(4-chlorophenyl)-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-quinone Formula: C24H14ClF3N4O2 MolecularWeight: 482.84177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)NC2=O

InChI

InChI=1S/C24H14ClF3N4O2/c25-16-10-12-18(13-11-16)31-20(14-6-8-15(9-7-14)24(26,27)28)30-21-19(22(31)33)29-23(34)32(21)17-4-2-1-3-5-17/h1-13H,(H,29,34)