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

Systemtic Name: ethyl 5-acetamido-7-methylsulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-acetamido-3-isopropyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-acetamido-7-(methylthio)-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-7-methylsulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-acetamido-3-isopropyl-7-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O3S/c1-6-22-13(21)9-11-18-17-10(7(2)3)19(11)14(15-8(4)20)16-12(9)23-5/h7H,6H2,1-5H3,(H,15,16,20)