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

Systemtic Name: N-[[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]methyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]methyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]methyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]methyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]benzyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N)C

InChI

InChI=1S/C22H24N6O/c1-22(2,3)19-11-18(28(4)27-19)20(29)24-12-16-7-5-6-15(10-16)8-9-17-13-25-21(23)26-14-17/h5-7,10-11,13-14H,12H2,1-4H3,(H,24,29)(H2,23,25,26)