6-(5-chloranylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 6-(5-chloranylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 6-(5-chloro-2-thienyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(5-chloro-2-thiophenyl)-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(5-chloro-2-thienyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C17H10ClN4O2S- MolecularWeight: 369.8049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CN2C3=C(C=N2)C(=CC(=N3)C4=CC=C(S4)Cl)C(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CN2C3=C(C=N2)C(=CC(=N3)C4=CC=C(S4)Cl)C(=O)[O-]

InChI

InChI=1S/C17H11ClN4O2S/c18-15-2-1-14(25-15)13-7-11(17(23)24)12-8-20-22(16(12)21-13)9-10-3-5-19-6-4-10/h1-8H,9H2,(H,23,24)/p-1