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

Systemtic Name: 1-(4-chlorophenyl)-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-chlorophenyl)-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(4-chlorophenyl)-6-[(2-keto-2-piperidino-ethyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN5O2S/c19-12-4-6-13(7-5-12)24-16-14(10-20-24)17(26)22-18(21-16)27-11-15(25)23-8-2-1-3-9-23/h4-7,10,20H,1-3,8-9,11H2