4-[6-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[6-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-[(3-fluorophenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[(3-fluorophenyl)methylthio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-[(3-fluorophenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[6-[(3-fluorobenzyl)thio]-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C18H14FN5O3S2 MolecularWeight: 431.463863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)F)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H14FN5O3S2/c19-12-3-1-2-11(8-12)10-28-18-22-16-15(17(25)23-18)9-21-24(16)13-4-6-14(7-5-13)29(20,26)27/h1-9,21H,10H2,(H2,20,26,27)