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

Systemtic Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-pyrazolyl)-4-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpyrazol-1-yl)-4-[2-pyrrolidino-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23F3N6O2 MolecularWeight: 460.45223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)N4C=C(C=N4)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)N4C=C(C=N4)C

InChI

InChI=1S/C22H23F3N6O2/c1-3-33-20(32)16-12-26-21(31-13-14(2)11-27-31)29-19(16)28-17-10-15(22(23,24)25)6-7-18(17)30-8-4-5-9-30/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,26,28,29)