4-[4-oxidanylidene-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-oxidanylidene-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-oxo-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[4-oxo-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[4-oxo-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-keto-6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C23H23N7O4S2 MolecularWeight: 525.60322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C23H23N7O4S2/c24-36(33,34)18-8-6-17(7-9-18)30-21-19(14-25-30)22(32)27-23(26-21)35-15-20(31)29-12-10-28(11-13-29)16-4-2-1-3-5-16/h1-9,14,25H,10-13,15H2,(H2,24,33,34)