4-[4-(2-morpholin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-(2-morpholin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(2-morpholinoethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[4-[2-(4-morpholinyl)ethylthio]-1-pyrazolo[3,4-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(2-morpholin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(2-morpholinoethylthio)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C17H20N6O3S2 MolecularWeight: 420.5091

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1COCCN1CCSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C17H20N6O3S2/c18-28(24,25)14-3-1-13(2-4-14)23-16-15(11-21-23)17(20-12-19-16)27-10-7-22-5-8-26-9-6-22/h1-4,11-12H,5-10H2,(H2,18,24,25)