1-[(2,4-dimethoxyphenyl)methyl]-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-[3-(phenylthio)propyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-(2,4-dimethoxybenzyl)-N-[3-(phenylthio)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NCCCSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NCCCSC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N4O3S/c1-31-21-10-9-18(23(14-21)32-2)17-29-24-19(16-28-29)13-20(15-27-24)25(30)26-11-6-12-33-22-7-4-3-5-8-22/h3-5,7-10,13-16H,6,11-12,17H2,1-2H3,(H,26,30)