5-chloranyl-3,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 5-chloranyl-3,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 5-chloro-3,6-dimethyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 5-chloro-3,6-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 5-chloro-3,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 5-chloro-3,6-dimethyl-1-(4-methylbenzyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=NC(=C(C(=C3C(=N2)C)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=C(C(=C3C(=N2)C)C(=O)O)Cl)C

InChI

InChI=1S/C17H16ClN3O2/c1-9-4-6-12(7-5-9)8-21-16-13(10(2)20-21)14(17(22)23)15(18)11(3)19-16/h4-7H,8H2,1-3H3,(H,22,23)