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

Systemtic Name: 1-(4-nitrophenyl)-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-nitrophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-2-pyrrolidino-ethyl)thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S/c24-14(21-7-1-2-8-21)10-28-17-19-15-13(16(25)20-17)9-18-22(15)11-3-5-12(6-4-11)23(26)27/h3-6,9,18H,1-2,7-8,10H2