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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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