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

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3,5-ditert-butyl-2-oxidanyl-phenyl)-4-ethoxy-benzenesulfonamide Openeye Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3,5-ditert-butyl-2-hydroxy-phenyl)-4-ethoxy-benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3,5-ditert-butyl-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide IUPAC Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3,5-ditert-butyl-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide Traditional Name: 3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3,5-ditert-butyl-2-hydroxy-phenyl)-4-ethoxy-benzenesulfonamide Formula: C32H43N5O5S MolecularWeight: 609.77932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)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=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C32H43N5O5S/c1-12-42-23-14-13-19(17-20(23)28-33-24-25(29(39)34-28)37(11)35-27(24)32(8,9)10)43(40,41)36-22-16-18(30(2,3)4)15-21(26(22)38)31(5,6)7/h13-17,36,38H,12H2,1-11H3,(H,33,34,39)