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

Systemtic Name: cyclohexyl 5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=CC=NC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(N2C(=N1)N=CN2)C3=CC=NC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C18H21N5O2/c1-12-15(17(24)25-14-5-3-2-4-6-14)16(13-7-9-19-10-8-13)23-18(22-12)20-11-21-23/h7-11,14,16H,2-6H2,1H3,(H,20,21,22)