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

Systemtic Name: cyclohexyl 5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)OC4CCCCC4

InChI

InChI=1S/C17H20N4O2S/c1-11-14(16(22)23-12-6-3-2-4-7-12)15(13-8-5-9-24-13)21-17(20-11)18-10-19-21/h5,8-10,12,15H,2-4,6-7H2,1H3,(H,18,19,20)