6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-cyano-2-methylsulfonylphenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-cyano-2-methylsulfonylphenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-cyano-2-mesyl-phenyl)-2-keto-4-methyl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide Formula: C21H17F3N4O4S MolecularWeight: 478.44429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)C#N)S(=O)(=O)C)C(=O)N

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)C#N)S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C21H17F3N4O4S/c1-11-17(19(26)29)18(15-7-6-12(10-25)8-16(15)33(2,31)32)27-20(30)28(11)14-5-3-4-13(9-14)21(22,23)24/h3-9,18H,1-2H3,(H2,26,29)(H,27,30)