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

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-cyclohexyl-4-ethoxy-N-(2-oxidanylpropyl)benzenesulfonamide Openeye Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-cyclohexyl-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-cyclohexyl-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide IUPAC Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-cyclohexyl-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide Traditional Name: 3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-cyclohexyl-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide Formula: C27H39N5O5S MolecularWeight: 545.69406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(CC(C)O)C2CCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(CC(C)O)C2CCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C27H39N5O5S/c1-7-37-21-14-13-19(38(35,36)32(16-17(2)33)18-11-9-8-10-12-18)15-20(21)25-28-22-23(26(34)29-25)31(6)30-24(22)27(3,4)5/h13-15,17-18,33H,7-12,16H2,1-6H3,(H,28,29,34)