2-methyl-6-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylic acid

Systemtic Name: 2-methyl-6-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylic acid Openeye Name: 2-methyl-6-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylic acid CAS Name: 2-methyl-6-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]-4-pyrimidinecarboxylic acid IUPAC Name: 2-methyl-6-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylic acid Traditional Name: 2-methyl-6-propyl-5-[4-[2-(triflylamino)phenyl]benzyl]pyrimidine-4-carboxylic acid Formula: C23H22F3N3O4S MolecularWeight: 493.49869

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)O)C

Isomeric SMILES

CCCC1=NC(=NC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)O)C

InChI

InChI=1S/C23H22F3N3O4S/c1-3-6-19-18(21(22(30)31)28-14(2)27-19)13-15-9-11-16(12-10-15)17-7-4-5-8-20(17)29-34(32,33)23(24,25)26/h4-5,7-12,29H,3,6,13H2,1-2H3,(H,30,31)