N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide Formula: C22H17N5O MolecularWeight: 367.40328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O/c1-15(12-23)18-5-3-6-19(11-18)21(28)27-20-7-2-4-16(10-20)8-9-17-13-25-22(24)26-14-17/h2-7,10-11,13-15H,1H3,(H,27,28)(H2,24,25,26)