N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide

Systemtic Name: N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide Openeye Name: N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide CAS Name: N-(2,4-dimethyl-5-nitrophenyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide IUPAC Name: N-(2,4-dimethyl-5-nitrophenyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide Traditional Name: N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide Formula: C25H28N6O6S MolecularWeight: 540.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC(=C(C=C4C)C)[N+](=O)[O-])OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC(=C(C=C4C)C)[N+](=O)[O-])OCC)C

InChI

InChI=1S/C25H28N6O6S/c1-6-8-18-22-23(30(5)28-18)25(32)27-24(26-22)17-12-16(9-10-21(17)37-7-2)38(35,36)29-19-13-20(31(33)34)15(4)11-14(19)3/h9-13,29H,6-8H2,1-5H3,(H,26,27,32)