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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C21H15F3N4O MolecularWeight: 396.36521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C21H15F3N4O/c1-13-5-7-16(9-15(13)8-6-14-11-26-20(25)27-12-14)19(29)28-18-4-2-3-17(10-18)21(22,23)24/h2-5,7,9-12H,1H3,(H,28,29)(H2,25,26,27)