N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-2-(2-methoxyphenyl)ethanamide

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-2-(2-methoxyphenyl)ethanamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-2-(2-methoxyphenyl)acetamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-2-(2-methoxyphenyl)acetamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-2-(2-methoxyphenyl)acetamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-2-(2-methoxyphenyl)acetamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=CC=CC=C1CC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C21H18N4O2/c1-27-19-8-3-2-6-17(19)12-20(26)25-18-7-4-5-15(11-18)9-10-16-13-23-21(22)24-14-16/h2-8,11,13-14H,12H2,1H3,(H,25,26)(H2,22,23,24)