methyl 6-butyl-2-methyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylate

Systemtic Name: methyl 6-butyl-2-methyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylate Openeye Name: methyl 6-butyl-2-methyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylate CAS Name: 6-butyl-2-methyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-butyl-2-methyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrimidine-4-carboxylate Traditional Name: 6-butyl-2-methyl-5-[4-[2-(triflylamino)phenyl]benzyl]pyrimidine-4-carboxylic acid methyl ester Formula: C25H26F3N3O4S MolecularWeight: 521.55185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCCCC1=NC(=NC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C25H26F3N3O4S/c1-4-5-9-21-20(23(24(32)35-3)30-16(2)29-21)15-17-11-13-18(14-12-17)19-8-6-7-10-22(19)31-36(33,34)25(26,27)28/h6-8,10-14,31H,4-5,9,15H2,1-3H3