6-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[3-oxo-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[3-oxo-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[3-keto-3-[4-(2-thienylsulfonyl)piperazino]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H22N6O4S2 MolecularWeight: 498.57788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H22N6O4S2/c29-19(26-10-12-27(13-11-26)34(31,32)20-7-4-14-33-20)9-8-18-24-21-17(22(30)25-18)15-23-28(21)16-5-2-1-3-6-16/h1-7,14-15,23H,8-13H2