2-(4-methyl-2-propan-2-yl-pyrazolo[3,4-b]pyridin-6-yl)sulfanylethanoate

Systemtic Name: 2-(4-methyl-2-propan-2-yl-pyrazolo[3,4-b]pyridin-6-yl)sulfanylethanoate Openeye Name: 2-(2-isopropyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl)sulfanylacetate CAS Name: 2-[(4-methyl-2-propan-2-yl-6-pyrazolo[3,4-b]pyridinyl)thio]acetate IUPAC Name: 2-(4-methyl-2-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)sulfanylacetate Traditional Name: 2-[(2-isopropyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl)thio]acetate Formula: C12H14N3O2S- MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN(C=C12)C(C)C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=NN(C=C12)C(C)C)SCC(=O)[O-]

InChI

InChI=1S/C12H15N3O2S/c1-7(2)15-5-9-8(3)4-10(13-12(9)14-15)18-6-11(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)/p-1