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

Systemtic Name: ethyl 2-methylsulfanyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-methylsulfanyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(methylthio)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(methylthio)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NC2=NC(=NN12)SC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NC2=NC(=NN12)SC)C(=O)OCC

InChI

InChI=1S/C12H16N4O2S/c1-4-6-9-8(10(17)18-5-2)7-13-11-14-12(19-3)15-16(9)11/h7H,4-6H2,1-3H3