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

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

CN1C(=C2C(=N1)C(=NC=N2)OC3CCN(CC3)C(=O)O)C4=C(C=C(C=C4)S(=O)(=O)N)F

Isomeric SMILES

CN1C(=C2C(=N1)C(=NC=N2)OC3CCN(CC3)C(=O)O)C4=C(C=C(C=C4)S(=O)(=O)N)F

InChI

InChI=1S/C18H19FN6O5S/c1-24-16(12-3-2-11(8-13(12)19)31(20,28)29)14-15(23-24)17(22-9-21-14)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)