N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4Cl)OCCO5

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4Cl)OCCO5

InChI

InChI=1S/C21H17ClN4O3S/c1-2-26-20-13(11-23-26)12(8-16(24-20)19-4-3-7-30-19)21(27)25-15-10-18-17(9-14(15)22)28-5-6-29-18/h3-4,7-11H,2,5-6H2,1H3,(H,25,27)