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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)C(F)(F)F)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C20H17F3N4O3S/c1-30-14-7-5-12(6-8-14)17(28)25-15-16(24)26-19(27-18(15)29)31-10-11-3-2-4-13(9-11)20(21,22)23/h2-9H,10H2,1H3,(H,25,28)(H3,24,26,27,29)