N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-[4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-8-sulfonamide CAS Name: N-[2-[4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(4-piperidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide Formula: C21H23N7O2S MolecularWeight: 437.51802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H23N7O2S/c29-31(30,18-8-4-6-16-7-5-9-22-19(16)18)26-10-13-28-21-17(14-25-28)20(23-15-24-21)27-11-2-1-3-12-27/h4-9,14-15,26H,1-3,10-13H2