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

Systemtic Name: 9-(3-chlorophenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(3-chlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(3-chlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(3-chlorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 9-(3-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(=C1)Cl)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

InChI

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