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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]benzamide Formula: C19H15F3N4O2S MolecularWeight: 420.40821

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N4O2S/c20-19(21,22)13-8-4-5-11(9-13)10-29-18-25-15(23)14(17(28)26-18)24-16(27)12-6-2-1-3-7-12/h1-9H,10H2,(H,24,27)(H3,23,25,26,28)