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

Systemtic Name: ethyl 5-azanyl-7-methylsulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-amino-3-isopropyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-amino-7-(methylthio)-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-methylsulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-amino-3-isopropyl-7-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-5-19-11(18)7-9-16-15-8(6(2)3)17(9)12(13)14-10(7)20-4/h6H,5H2,1-4H3,(H2,13,14)