2-(2-butyl-3,4-dimethyl-pyrazolo[3,4-b]pyridin-6-yl)sulfanylethanoate

Systemtic Name: 2-(2-butyl-3,4-dimethyl-pyrazolo[3,4-b]pyridin-6-yl)sulfanylethanoate Openeye Name: 2-(2-butyl-3,4-dimethyl-pyrazolo[3,4-b]pyridin-6-yl)sulfanylacetate CAS Name: 2-[(2-butyl-3,4-dimethyl-6-pyrazolo[3,4-b]pyridinyl)thio]acetate IUPAC Name: 2-(2-butyl-3,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)sulfanylacetate Traditional Name: 2-[(2-butyl-3,4-dimethyl-pyrazolo[3,4-b]pyridin-6-yl)thio]acetate Formula: C14H18N3O2S- MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=CC(=NC2=N1)SCC(=O)[O-])C)C

Isomeric SMILES

CCCCN1C(=C2C(=CC(=NC2=N1)SCC(=O)[O-])C)C

InChI

InChI=1S/C14H19N3O2S/c1-4-5-6-17-10(3)13-9(2)7-11(15-14(13)16-17)20-8-12(18)19/h7H,4-6,8H2,1-3H3,(H,18,19)/p-1