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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(5-cyclopropyl-2-methyl-pyrazol-3-yl)benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-cyclopropyl-2-methyl-pyrazol-3-yl)benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-(5-cyclopropyl-2-methyl-3-pyrazolyl)benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-cyclopropyl-2-methylpyrazol-3-yl)benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-cyclopropyl-2-methyl-pyrazol-3-yl)benzamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2CC2)NC(=O)C3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

CN1C(=CC(=N1)C2CC2)NC(=O)C3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C20H18N6O/c1-26-18(10-17(25-26)15-7-8-15)24-19(27)16-4-2-3-13(9-16)5-6-14-11-22-20(21)23-12-14/h2-4,9-12,15H,7-8H2,1H3,(H,24,27)(H2,21,22,23)