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

Systemtic Name: pentyl 5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: pentyl 5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid pentyl ester IUPAC Name: pentyl 5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid amyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CS3)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CS3)C

InChI

InChI=1S/C16H20N4O2S/c1-3-4-5-8-22-15(21)13-11(2)19-16-17-10-18-20(16)14(13)12-7-6-9-23-12/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,17,18,19)