ethyl 2-methyl-7-phenyl-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-methyl-7-phenyl-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-methyl-7-phenyl-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-methyl-7-phenyl-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-7-phenyl-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-methyl-7-phenyl-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=C(N2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

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

InChI

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