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

Systemtic Name: 4-[4-oxidanylidene-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-(6-benzylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[4-oxo-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-(6-benzylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[6-(benzylthio)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O3S2/c19-28(25,26)14-8-6-13(7-9-14)23-16-15(10-20-23)17(24)22-18(21-16)27-11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,19,25,26)