methyl 5-azanyl-3-methylsulfanyl-1-[6-[3-(trifluoromethyloxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-3-methylsulfanyl-1-[6-[3-(trifluoromethyloxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-methylsulfanyl-1-[6-[3-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-[6-[3-(trifluoromethoxy)phenoxy]-4-pyrimidinyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-methylsulfanyl-1-[6-[3-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-[6-[3-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylic acid methyl ester Formula: C17H14F3N5O4S MolecularWeight: 441.38437

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)OC3=CC(=CC=C3)OC(F)(F)F)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)OC3=CC(=CC=C3)OC(F)(F)F)N

InChI

InChI=1S/C17H14F3N5O4S/c1-27-16(26)13-14(21)25(24-15(13)30-2)11-7-12(23-8-22-11)28-9-4-3-5-10(6-9)29-17(18,19)20/h3-8H,21H2,1-2H3