N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide

Systemtic Name: N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide Openeye Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide CAS Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide IUPAC Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide Traditional Name: N-[3-(6-ethyl-4-keto-1H-pyrimidin-2-yl)phenyl]-4-triflyl-benzamide Formula: C20H16F3N3O4S MolecularWeight: 451.41895

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O4S/c1-2-14-11-17(27)26-18(24-14)13-4-3-5-15(10-13)25-19(28)12-6-8-16(9-7-12)31(29,30)20(21,22)23/h3-11H,2H2,1H3,(H,25,28)(H,24,26,27)