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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N[C@@H](CCSC)C4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C26H26N6OS/c1-16-23-18(15-22(17-9-5-4-6-10-17)29-25(23)32(2)31-16)26(33)30-21(13-14-34-3)24-27-19-11-7-8-12-20(19)28-24/h4-12,15,21H,13-14H2,1-3H3,(H,27,28)(H,30,33)/t21-/m0/s1