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

Systemtic Name: 5-[[3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-phenyl]sulfonylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-phenyl]sulfonylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid Traditional Name: 5-[[3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-phenyl]sulfonylamino]-2-hydroxy-benzoic acid Formula: C25H27N5O7S MolecularWeight: 541.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=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=C2)O)C(=O)O)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C25H27N5O7S/c1-6-37-18-10-8-14(38(35,36)29-13-7-9-17(31)15(11-13)24(33)34)12-16(18)22-26-19-20(23(32)27-22)30(5)28-21(19)25(2,3)4/h7-12,29,31H,6H2,1-5H3,(H,33,34)(H,26,27,32)