N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C19H14F4N4O2S MolecularWeight: 438.398673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)C(F)(F)F)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)C(F)(F)F)N)F

InChI

InChI=1S/C19H14F4N4O2S/c20-13-7-2-1-6-12(13)16(28)25-14-15(24)26-18(27-17(14)29)30-9-10-4-3-5-11(8-10)19(21,22)23/h1-8H,9H2,(H,25,28)(H3,24,26,27,29)