3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-(5-tert-butyl-2-methyl-3-pyrazolyl)benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-tert-butyl-2-methylpyrazol-3-yl)benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)benzamide Formula: C21H22N6O MolecularWeight: 374.43898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O/c1-21(2,3)17-11-18(27(4)26-17)25-19(28)16-7-5-6-14(10-16)8-9-15-12-23-20(22)24-13-15/h5-7,10-13H,1-4H3,(H,25,28)(H2,22,23,24)