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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C25H28N6O6S/c1-7-37-19-11-10-16(38(35,36)29-18-12-15(31(33)34)9-8-14(18)2)13-17(19)23-26-20-21(24(32)27-23)30(6)28-22(20)25(3,4)5/h8-13,29H,7H2,1-6H3,(H,26,27,32)