methyl 6-methyl-2-[2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]phenyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]phenyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: methyl 6-methyl-2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 6-methyl-2-[[2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]phenyl]thio]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 6-methyl-2-[[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]thio]pyrimidine-4-carboxylic acid methyl ester Formula: C21H17F3N4O4S MolecularWeight: 478.44429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)OC)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)OC)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

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