3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide Formula: C22H17F3N4O MolecularWeight: 410.39179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C(F)(F)F)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C(F)(F)F)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C22H17F3N4O/c1-13-6-8-17(10-16(13)9-7-15-11-27-21(26)28-12-15)20(30)29-19-5-3-4-18(14(19)2)22(23,24)25/h3-6,8,10-12H,1-2H3,(H,29,30)(H2,26,27,28)