N,N-dimethyl-3-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide Traditional Name: 3-[[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H18N6O5S MolecularWeight: 454.45912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5S/c1-23(2)32(30,31)15-7-5-6-14(10-15)12-24-13-21-19-16(20(24)27)11-22-25(19)17-8-3-4-9-18(17)26(28)29/h3-11,13H,12H2,1-2H3