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

Systemtic Name: 6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-2-piperidino-ethyl)thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c24-15(22-9-5-2-6-10-22)12-26-18-20-16-14(17(25)21-18)11-19-23(16)13-7-3-1-4-8-13/h1,3-4,7-8,11,19H,2,5-6,9-10,12H2