4-tert-butyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[2-[4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[2-(4-pyrrolidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCC4

InChI

InChI=1S/C21H28N6O2S/c1-21(2,3)16-6-8-17(9-7-16)30(28,29)25-10-13-27-20-18(14-24-27)19(22-15-23-20)26-11-4-5-12-26/h6-9,14-15,25H,4-5,10-13H2,1-3H3