4-[3-(2-fluoranyl-4-sulfamoyl-phenyl)-1-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[3-(2-fluoranyl-4-sulfamoyl-phenyl)-1-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3-(2-fluoro-4-sulfamoyl-phenyl)-1-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3-(2-fluoro-4-sulfamoylphenyl)-1-methyl-7-pyrazolo[4,3-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(2-fluoro-4-sulfamoylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[3-(2-fluoro-4-sulfamoyl-phenyl)-1-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Formula: C18H19FN6O5S MolecularWeight: 450.444063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)C3=C(C=C(C=C3)S(=O)(=O)N)F)N=CN=C2OC4CCN(CC4)C(=O)O

Isomeric SMILES

CN1C2=C(C(=N1)C3=C(C=C(C=C3)S(=O)(=O)N)F)N=CN=C2OC4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H19FN6O5S/c1-24-16-15(14(23-24)12-3-2-11(8-13(12)19)31(20,28)29)21-9-22-17(16)30-10-4-6-25(7-5-10)18(26)27/h2-3,8-10H,4-7H2,1H3,(H,26,27)(H2,20,28,29)