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

Systemtic Name: 1-(4-nitrophenyl)-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-nitrophenyl)-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-2-piperidino-ethyl)thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H18N6O4S MolecularWeight: 414.43832

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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)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c25-15(22-8-2-1-3-9-22)11-29-18-20-16-14(17(26)21-18)10-19-23(16)12-4-6-13(7-5-12)24(27)28/h4-7,10,19H,1-3,8-9,11H2