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

Systemtic Name: 4-(4-oxidanylidene-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Openeye Name: 4-(6-allylsulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[4-oxo-6-(prop-2-enylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-(4-oxo-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[6-(allylthio)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S2/c1-2-7-23-14-17-12-11(13(20)18-14)8-16-19(12)9-3-5-10(6-4-9)24(15,21)22/h2-6,8,16H,1,7H2,(H2,15,21,22)