hexyl 2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: hexyl 2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: hexyl 2-(4-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid hexyl ester IUPAC Name: hexyl 2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 2-(4-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid hexyl ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=NC2=NC(=NN2C=C1)C3=CC=NC=C3

Isomeric SMILES

CCCCCCOC(=O)C1=NC2=NC(=NN2C=C1)C3=CC=NC=C3

InChI

InChI=1S/C17H19N5O2/c1-2-3-4-5-12-24-16(23)14-8-11-22-17(19-14)20-15(21-22)13-6-9-18-10-7-13/h6-11H,2-5,12H2,1H3