ethyl 5-azanyl-7-methylsulfanyl-3-oxidanylidene-2H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate

Systemtic Name: ethyl 5-azanyl-7-methylsulfanyl-3-oxidanylidene-2H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-amino-7-methylsulfanyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-amino-7-(methylthio)-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-methylsulfanyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-amino-3-keto-7-(methylthio)-2H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C9H11N5O3S MolecularWeight: 269.28034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N2C1=NNC2=O)N)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N2C1=NNC2=O)N)SC

InChI

InChI=1S/C9H11N5O3S/c1-3-17-7(15)4-5-12-13-9(16)14(5)8(10)11-6(4)18-2/h3H2,1-2H3,(H2,10,11)(H,13,16)