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

Systemtic Name: heptyl 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2/c1-3-4-5-6-7-12-26-18(25)16-14(2)23-19-21-13-22-24(19)17(16)15-8-10-20-11-9-15/h8-11,13,17H,3-7,12H2,1-2H3,(H,21,22,23)