6-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]-4-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]-4-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 6-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-4-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 6-[(3-chloro-2,6-diethylanilino)-oxomethyl]-4-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid IUPAC Name: 6-[(3-chloro-2,6-diethylphenyl)carbamoyl]-4-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 6-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-4-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=C(C(=C3C=NNC3=N2)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=C(C(=C3C=NNC3=N2)C)C(=O)O

InChI

InChI=1S/C19H19ClN4O3/c1-4-10-6-7-13(20)11(5-2)15(10)23-18(25)16-14(19(26)27)9(3)12-8-21-24-17(12)22-16/h6-8H,4-5H2,1-3H3,(H,23,25)(H,26,27)(H,21,22,24)