ethyl 5-propyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-propyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-propyl-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-propyl-7-(3-pyridinyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-propyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-propyl-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C(=N1)N=CN2)C3=CN=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C(=N1)N=CN2)C3=CN=CC=C3)C(=O)OCC

InChI

InChI=1S/C16H19N5O2/c1-3-6-12-13(15(22)23-4-2)14(11-7-5-8-17-9-11)21-16(20-12)18-10-19-21/h5,7-10,14H,3-4,6H2,1-2H3,(H,18,19,20)