N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O/c1-21(2,3)18-11-17(27(4)26-18)19(28)25-16-7-5-6-14(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)