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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H13F3N4O MolecularWeight: 382.33863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13F3N4O/c21-20(22,23)16-5-2-6-17(10-16)27-18(28)15-4-1-3-13(9-15)7-8-14-11-25-19(24)26-12-14/h1-6,9-12H,(H,27,28)(H2,24,25,26)