5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-mesylpiperazino)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19N7O6S MolecularWeight: 461.45176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O6S/c1-32(30,31)23-8-6-21(7-9-23)16(26)11-22-12-19-17-13(18(22)27)10-20-24(17)14-4-2-3-5-15(14)25(28)29/h2-5,10,12H,6-9,11H2,1H3