pentyl 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: pentyl 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: pentyl 5-methyl-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid pentyl ester IUPAC Name: pentyl 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid amyl ester Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=NC=C3)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=NC=C3)C

InChI

InChI=1S/C17H21N5O2/c1-3-4-5-10-24-16(23)14-12(2)21-17-19-11-20-22(17)15(14)13-6-8-18-9-7-13/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,20,21)