ethyl 3-[[4-[2-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]amino]propanoate

Systemtic Name: ethyl 3-[[4-[2-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]amino]propanoate Openeye Name: ethyl 3-[[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-pyridyl]amino]propanoate CAS Name: 3-[[4-[2-[3-(trifluoromethyl)anilino]-4-pyrimidinyl]-2-pyridinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridin-2-yl]amino]propanoate Traditional Name: 3-[[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-pyridyl]amino]propionic acid ethyl ester Formula: C21H20F3N5O2 MolecularWeight: 431.41101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=NC=CC(=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCNC1=NC=CC(=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O2/c1-2-31-19(30)8-11-26-18-12-14(6-9-25-18)17-7-10-27-20(29-17)28-16-5-3-4-15(13-16)21(22,23)24/h3-7,9-10,12-13H,2,8,11H2,1H3,(H,25,26)(H,27,28,29)