ethyl 5-acetamido-3-methyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate

Systemtic Name: ethyl 5-acetamido-3-methyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-acetamido-3-methyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-acetamido-3-methyl-7-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-3-methyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-acetamido-3-methyl-7-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N2C1=NN=C2C)NC(=O)C)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N2C1=NN=C2C)NC(=O)C)SC

InChI

InChI=1S/C12H15N5O3S/c1-5-20-11(19)8-9-16-15-6(2)17(9)12(13-7(3)18)14-10(8)21-4/h5H2,1-4H3,(H,13,14,18)