3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(1-propan-2-ylpyrazol-3-yl)benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(1-propan-2-ylpyrazol-3-yl)benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(1-isopropylpyrazol-3-yl)benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-(1-propan-2-yl-3-pyrazolyl)benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(1-propan-2-ylpyrazol-3-yl)benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(1-isopropylpyrazol-3-yl)benzamide Formula: C19H18N6O MolecularWeight: 346.38582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)NC(=O)C2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC(C)N1C=CC(=N1)NC(=O)C2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C19H18N6O/c1-13(2)25-9-8-17(24-25)23-18(26)16-5-3-4-14(10-16)6-7-15-11-21-19(20)22-12-15/h3-5,8-13H,1-2H3,(H2,20,21,22)(H,23,24,26)