2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C20H14F3N5O2S MolecularWeight: 445.41767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H14F3N5O2S/c21-20(22,23)13-8-4-5-9-14(13)26-15(29)10-31-19-27-16-17(24-11-25-18(16)30)28(19)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,26,29)(H,24,25,30)