4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C17H17ClN4O3 MolecularWeight: 360.79488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NCC3=CC(=C(C=C3)OC)Cl)C(=O)O

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NCC3=CC(=C(C=C3)OC)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN4O3/c1-3-22-16-11(9-21-22)15(12(8-20-16)17(23)24)19-7-10-4-5-14(25-2)13(18)6-10/h4-6,8-9H,3,7H2,1-2H3,(H,19,20)(H,23,24)