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

Systemtic Name: heptyl 5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-3-4-5-6-7-10-24-17(23)15-13(2)21-18-19-12-20-22(18)16(15)14-9-8-11-25-14/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20,21)