ethyl 5-methyl-7-(4-propoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)OCC

InChI

InChI=1S/C18H22N4O3/c1-4-10-25-14-8-6-13(7-9-14)16-15(17(23)24-5-2)12(3)21-18-19-11-20-22(16)18/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,20,21)