3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-benzenesulfonamide

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-benzenesulfonamide Openeye Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzenesulfonamide IUPAC Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzenesulfonamide Traditional Name: 3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-benzenesulfonamide Formula: C26H29N5O6S MolecularWeight: 539.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC(=O)C5=C(N4)C(=NN5C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC(=O)C5=C(N4)C(=NN5C)C(C)(C)C

InChI

InChI=1S/C26H29N5O6S/c1-6-35-18-10-8-16(38(33,34)30-15-7-9-19-20(13-15)37-12-11-36-19)14-17(18)24-27-21-22(25(32)28-24)31(5)29-23(21)26(2,3)4/h7-10,13-14,30H,6,11-12H2,1-5H3,(H,27,28,32)