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

Systemtic Name: ethyl 5-methyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H16F3N5O3 MolecularWeight: 407.34655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N5O3/c1-3-28-17(27)14-9-24-26(11(14)2)16-8-15(22-10-23-16)25-12-4-6-13(7-5-12)29-18(19,20)21/h4-10H,3H2,1-2H3,(H,22,23,25)