N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-pyridin-3-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-pyridin-3-yl-pyrimidine-5-carboxamide Openeye Name: N-(1,1-dimethylprop-2-ynyl)-4-phenyl-2-(3-pyridyl)pyrimidine-5-carboxamide CAS Name: N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide IUPAC Name: N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-pyridin-3-ylpyrimidine-5-carboxamide Traditional Name: N-(1,1-dimethylprop-2-ynyl)-4-phenyl-2-(3-pyridyl)pyrimidine-5-carboxamide Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C#C)NC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H18N4O/c1-4-21(2,3)25-20(26)17-14-23-19(16-11-8-12-22-13-16)24-18(17)15-9-6-5-7-10-15/h1,5-14H,2-3H3,(H,25,26)