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

Systemtic Name: 9-(4-chlorophenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(4-chlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(4-chlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(4-chlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 9-(4-chlorophenyl)-8-keto-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C19H11ClF3N5O2 MolecularWeight: 433.77115

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H11ClF3N5O2/c20-11-5-7-12(8-6-11)28-17-14(26-18(28)30)13(15(24)29)25-16(27-17)9-1-3-10(4-2-9)19(21,22)23/h1-8H,(H2,24,29)(H,26,30)