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

Systemtic Name: methyl 5-azanyl-3-methylsulfanyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-methylsulfanyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-methylsulfanyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylic acid methyl ester Formula: C17H15F3N6O3S MolecularWeight: 440.39961

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)N

InChI

InChI=1S/C17H15F3N6O3S/c1-28-16(27)13-14(21)26(25-15(13)30-2)12-7-11(22-8-23-12)24-9-3-5-10(6-4-9)29-17(18,19)20/h3-8H,21H2,1-2H3,(H,22,23,24)