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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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