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

Systemtic Name: 2-(4-chloranylpyridin-3-yl)-8-oxidanylidene-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 2-(4-chloro-3-pyridyl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 2-(4-chloro-3-pyridinyl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 2-(4-chloropyridin-3-yl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 2-(4-chloro-3-pyridyl)-8-keto-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C18H10ClF3N6O2 MolecularWeight: 434.75921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10ClF3N6O2/c19-10-5-6-24-7-8(10)15-25-12(14(23)29)13-16(27-15)28(17(30)26-13)11-4-2-1-3-9(11)18(20,21)22/h1-7H,(H2,23,29)(H,26,30)