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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F)C(F)(F)F

InChI

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