9-(3,4-dichlorophenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dichlorophenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dichlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(3,4-dichlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dichlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dichlorophenyl)-8-keto-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C19H10Cl2F3N5O2 MolecularWeight: 468.21621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)Cl)Cl)C(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)Cl)Cl)C(=O)N)C(F)(F)F

InChI

InChI=1S/C19H10Cl2F3N5O2/c20-11-6-5-10(7-12(11)21)29-17-14(27-18(29)31)13(15(25)30)26-16(28-17)8-1-3-9(4-2-8)19(22,23)24/h1-7H,(H2,25,30)(H,27,31)