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

Systemtic Name: 6-(acetyloxymethyl)-1-butyl-4-chloranyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 6-(acetoxymethyl)-1-butyl-4-chloro-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 6-(acetyloxymethyl)-1-butyl-4-chloro-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 6-(acetyloxymethyl)-1-butyl-4-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 6-(acetoxymethyl)-1-butyl-4-chloro-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=C(C(=C2C=N1)Cl)C(=O)O)COC(=O)C

Isomeric SMILES

CCCCN1C2=NC(=C(C(=C2C=N1)Cl)C(=O)O)COC(=O)C

InChI

InChI=1S/C14H16ClN3O4/c1-3-4-5-18-13-9(6-16-18)12(15)11(14(20)21)10(17-13)7-22-8(2)19/h6H,3-5,7H2,1-2H3,(H,20,21)