N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N,6-dimethyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-N,6-dimethyl-1-(2-thenyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)N(C)CC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)N(C)CC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C22H21BrN4O2S/c1-14-9-18(19-11-24-27(21(19)25-14)13-17-5-4-8-30-17)22(28)26(2)12-15-10-16(23)6-7-20(15)29-3/h4-11H,12-13H2,1-3H3