4-[6-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[6-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[(2,5-dimethylphenyl)methylthio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[6-[(2,5-dimethylbenzyl)thio]-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H19N5O3S2/c1-12-3-4-13(2)14(9-12)11-29-20-23-18-17(19(26)24-20)10-22-25(18)15-5-7-16(8-6-15)30(21,27)28/h3-10,22H,11H2,1-2H3,(H2,21,27,28)