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

Systemtic Name: N-[5-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyridin-3-yl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[5-[2-(2-amino-5-pyrimidinyl)ethynyl]-3-pyridinyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]pyridin-3-yl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C20H21N7O MolecularWeight: 375.42704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O/c1-20(2,3)17-8-16(27(4)26-17)18(28)25-15-7-13(9-22-12-15)5-6-14-10-23-19(21)24-11-14/h7-12H,1-4H3,(H,25,28)(H2,21,23,24)