N-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C20H22N6OS/c1-11(2)28-18-13(9-21-19-17(18)12(3)25-26(19)4)20(27)22-10-16-23-14-7-5-6-8-15(14)24-16/h5-9,11H,10H2,1-4H3,(H,22,27)(H,23,24)