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

Systemtic Name: N-[5-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-(1-cyanoethyl)benzamide Openeye Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-3-(1-cyanoethyl)benzamide CAS Name: N-[5-[2-(2-amino-5-pyrimidinyl)ethynyl]-3-pyridinyl]-3-(1-cyanoethyl)benzamide IUPAC Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-(1-cyanoethyl)benzamide Traditional Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-3-(1-cyanoethyl)benzamide Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O/c1-14(9-22)17-3-2-4-18(8-17)20(28)27-19-7-15(10-24-13-19)5-6-16-11-25-21(23)26-12-16/h2-4,7-8,10-14H,1H3,(H,27,28)(H2,23,25,26)