2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide Formula: C14H10F3N5O2S MolecularWeight: 369.32171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C14H10F3N5O2S/c15-14(16,17)7-1-3-8(4-2-7)19-10(23)6-25-13-20-11-9(5-18-22-11)12(24)21-13/h1-5H,6H2,(H,19,23)(H2,18,20,21,22,24)