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

Systemtic Name: octyl 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-3-4-5-6-7-8-13-27-19(26)17-15(2)24-20-22-14-23-25(20)18(17)16-9-11-21-12-10-16/h9-12,14,18H,3-8,13H2,1-2H3,(H,22,23,24)