4-tert-butyl-N-(5-oxidanylidene-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

Systemtic Name: 4-tert-butyl-N-(5-oxidanylidene-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Openeye Name: 4-tert-butyl-N-[5-oxo-2-(3-pyridyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide CAS Name: 4-tert-butyl-N-[5-oxo-2-(3-pyridinyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide IUPAC Name: 4-tert-butyl-N-(5-oxo-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Traditional Name: 4-tert-butyl-N-[5-keto-2-(3-pyridyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-21(2,3)15-8-6-13(7-9-15)19(29)23-16-11-17(28)24-20-25-18(26-27(16)20)14-5-4-10-22-12-14/h4-12H,1-3H3,(H,23,29)(H,24,25,26,28)