ethyl 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-pyrazolyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)benzyl]amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H18F3N5O2 MolecularWeight: 405.37373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=CC=C2)C(F)(F)F)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=CC=C2)C(F)(F)F)N3C=C(C=N3)C

InChI

InChI=1S/C19H18F3N5O2/c1-3-29-17(28)15-10-24-18(27-11-12(2)8-25-27)26-16(15)23-9-13-5-4-6-14(7-13)19(20,21)22/h4-8,10-11H,3,9H2,1-2H3,(H,23,24,26)