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

Systemtic Name: 1-(4-nitrophenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-nitrophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H21N7O4S MolecularWeight: 491.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O4S/c31-20(28-12-10-27(11-13-28)16-4-2-1-3-5-16)15-35-23-25-21-19(22(32)26-23)14-24-29(21)17-6-8-18(9-7-17)30(33)34/h1-9,14,24H,10-13,15H2