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

Systemtic Name: 4-(6-ethylsulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Openeye Name: 4-(6-ethylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[6-(ethylthio)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-(6-ethylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[6-(ethylthio)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H13N5O3S2/c1-2-22-13-16-11-10(12(19)17-13)7-15-18(11)8-3-5-9(6-4-8)23(14,20)21/h3-7,15H,2H2,1H3,(H2,14,20,21)