3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

Systemtic Name: 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid Openeye Name: 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid CAS Name: 3-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid Traditional Name: 3-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propionic acid Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)SC)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)SC)C)CCC(=O)O

InChI

InChI=1S/C11H14N4O2S/c1-6-8(4-5-9(16)17)7(2)15-10(12-6)13-11(14-15)18-3/h4-5H2,1-3H3,(H,16,17)