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

Systemtic Name: 4-(6-butan-2-ylsulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Openeye Name: 4-(4-oxo-6-sec-butylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[6-(butan-2-ylthio)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-(6-butan-2-ylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[4-keto-6-(sec-butylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H17N5O3S2/c1-3-9(2)24-15-18-13-12(14(21)19-15)8-17-20(13)10-4-6-11(7-5-10)25(16,22)23/h4-9,17H,3H2,1-2H3,(H2,16,22,23)