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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methoxy-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methoxy-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methoxy-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methoxy-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methoxy-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide Formula: C22H17F3N4O2 MolecularWeight: 426.39119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)OC)C#CC3=CN=C(N=C3)N)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)OC)C#CC3=CN=C(N=C3)N)C(F)(F)F

InChI

InChI=1S/C22H17F3N4O2/c1-13-17(22(23,24)25)4-3-5-18(13)29-20(30)16-8-9-19(31-2)15(10-16)7-6-14-11-27-21(26)28-12-14/h3-5,8-12H,1-2H3,(H,29,30)(H2,26,27,28)