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

Systemtic Name: ethyl (7S)-7-(4-methoxyphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl (7S)-7-(4-methoxyphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7S)-7-(4-methoxyphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (7S)-7-(4-methoxyphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7S)-7-(4-methoxyphenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-4-6-14-15(17(23)25-5-2)16(22-18(21-14)19-11-20-22)12-7-9-13(24-3)10-8-12/h7-11,16H,4-6H2,1-3H3,(H,19,20,21)/t16-/m0/s1