5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-2-[2-(methylthio)-5-pyrimidinyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-2-[2-(methylthio)pyrimidin-5-yl]pyrazole-3-carboxylic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)O)C2=CN=C(N=C2)SC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)O)C2=CN=C(N=C2)SC

InChI

InChI=1S/C13H16N4O2S/c1-13(2,3)10-5-9(11(18)19)17(16-10)8-6-14-12(20-4)15-7-8/h5-7H,1-4H3,(H,18,19)