1-(4-chlorophenyl)-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H24ClN5O2S/c26-19-6-8-20(9-7-19)31-23-21(15-27-31)24(33)29-25(28-23)34-16-22(32)30-12-10-18(11-13-30)14-17-4-2-1-3-5-17/h1-9,15,18,27H,10-14,16H2