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

Systemtic Name: 2-[(9-ethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(9-ethyl-6-oxo-3H-purin-8-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(9-ethyl-6-keto-3H-purin-8-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C16H14F3N5O2S MolecularWeight: 397.37487

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H14F3N5O2S/c1-2-24-13-12(14(26)21-8-20-13)23-15(24)27-7-11(25)22-10-6-4-3-5-9(10)16(17,18)19/h3-6,8H,2,7H2,1H3,(H,22,25)(H,20,21,26)