ethyl (7R)-7-(2-methylphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (7R)-7-(2-methylphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl (7R)-7-(o-tolyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7R)-7-(2-methylphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (7R)-7-(2-methylphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7R)-7-(o-tolyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](N2C(=N1)N=CN2)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C18H22N4O2/c1-4-8-14-15(17(23)24-5-2)16(13-10-7-6-9-12(13)3)22-18(21-14)19-11-20-22/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,19,20,21)/t16-/m1/s1