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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methoxy-N-[3-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide Formula: C21H15F3N4O3 MolecularWeight: 428.36401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(F)(F)F)C#CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(F)(F)F)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C21H15F3N4O3/c1-30-18-8-7-15(9-14(18)6-5-13-11-26-20(25)27-12-13)19(29)28-16-3-2-4-17(10-16)31-21(22,23)24/h2-4,7-12H,1H3,(H,28,29)(H2,25,26,27)