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

Systemtic Name: N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide CAS Name: N-[2-[4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(4-pyrrolidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-8-sulfonamide Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C20H21N7O2S/c28-30(29,17-7-3-5-15-6-4-8-21-18(15)17)25-9-12-27-20-16(13-24-27)19(22-14-23-20)26-10-1-2-11-26/h3-8,13-14,25H,1-2,9-12H2