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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C(=N1)N=C(N2)C)C3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(N2C(=N1)N=C(N2)C)C3=CN=CC=C3)C(=O)OC

InChI

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