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

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-benzenesulfonamide Openeye Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,4-dimethyl-5-nitrophenyl)-4-ethoxybenzenesulfonamide IUPAC Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,4-dimethyl-5-nitrophenyl)-4-ethoxybenzenesulfonamide Traditional Name: 3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,4-dimethyl-5-nitro-phenyl)-4-ethoxy-benzenesulfonamide Formula: C26H30N6O6S MolecularWeight: 554.618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C)C)[N+](=O)[O-])C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C)C)[N+](=O)[O-])C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C26H30N6O6S/c1-8-38-20-10-9-16(39(36,37)30-18-13-19(32(34)35)15(3)11-14(18)2)12-17(20)24-27-21-22(25(33)28-24)31(7)29-23(21)26(4,5)6/h9-13,30H,8H2,1-7H3,(H,27,28,33)