N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCC3=CCCCC3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCC3=CCCCC3)C

InChI

InChI=1S/C20H28N4OS/c1-13(2)26-18-16(12-22-19-17(18)14(3)23-24(19)4)20(25)21-11-10-15-8-6-5-7-9-15/h8,12-13H,5-7,9-11H2,1-4H3,(H,21,25)