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

Systemtic Name: 2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-keto-9-methyl-3H-purin-8-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C15H12F3N5O2S MolecularWeight: 383.34829

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C15H12F3N5O2S/c1-23-12-11(13(25)20-7-19-12)22-14(23)26-6-10(24)21-9-5-3-2-4-8(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,21,24)(H,19,20,25)