(2-oxidanylidenecyclohexyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: (2-oxocyclohexyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (2-ketocyclohexyl) ester Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC2=NC(=NN12)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC=NC2=NC(=NN12)C(=O)OC3CCCCC3=O

InChI

InChI=1S/C13H14N4O3/c1-8-6-7-14-13-15-11(16-17(8)13)12(19)20-10-5-3-2-4-9(10)18/h6-7,10H,2-5H2,1H3