6-(acetyloxymethyl)-4-chloranyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 6-(acetyloxymethyl)-4-chloranyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 6-(acetoxymethyl)-4-chloro-1-isopentyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 6-(acetyloxymethyl)-4-chloro-1-(3-methylbutyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 6-(acetyloxymethyl)-4-chloro-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 6-(acetoxymethyl)-4-chloro-1-isoamyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=NC(=C(C(=C2C=N1)Cl)C(=O)O)COC(=O)C

Isomeric SMILES

CC(C)CCN1C2=NC(=C(C(=C2C=N1)Cl)C(=O)O)COC(=O)C

InChI

InChI=1S/C15H18ClN3O4/c1-8(2)4-5-19-14-10(6-17-19)13(16)12(15(21)22)11(18-14)7-23-9(3)20/h6,8H,4-5,7H2,1-3H3,(H,21,22)