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

Systemtic Name: 4-[3-(2-fluoranyl-4-methylsulfonyl-phenyl)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3-(2-fluoro-4-methylsulfonyl-phenyl)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3-(2-fluoro-4-methylsulfonylphenyl)-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(2-fluoro-4-methylsulfonylphenyl)-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[3-(2-fluoro-4-mesyl-phenyl)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Formula: C19H20FN5O5S MolecularWeight: 449.456003

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O5S/c1-24-17(13-4-3-12(9-14(13)20)31(2,28)29)15-16(23-24)18(22-10-21-15)30-11-5-7-25(8-6-11)19(26)27/h3-4,9-11H,5-8H2,1-2H3,(H,26,27)