N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C14H10F3N5O2S MolecularWeight: 369.32171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC#N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC#N)N)C(F)(F)F

InChI

InChI=1S/C14H10F3N5O2S/c15-14(16,17)8-3-1-7(2-4-8)11(23)20-9-10(19)21-13(22-12(9)24)25-6-5-18/h1-4H,6H2,(H,20,23)(H3,19,21,22,24)