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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C21H19F3N4O3S MolecularWeight: 464.46077

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)C(F)(F)F)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C21H19F3N4O3S/c1-2-31-15-8-6-13(7-9-15)18(29)26-16-17(25)27-20(28-19(16)30)32-11-12-4-3-5-14(10-12)21(22,23)24/h3-10H,2,11H2,1H3,(H,26,29)(H3,25,27,28,30)