N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C29H26N6OS2 MolecularWeight: 538.68634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C29H26N6OS2/c1-18-26-20(29(36)33-23(14-16-37-2)27-30-21-11-6-7-12-22(21)31-27)17-24(25-13-8-15-38-25)32-28(26)35(34-18)19-9-4-3-5-10-19/h3-13,15,17,23H,14,16H2,1-2H3,(H,30,31)(H,33,36)