4-[8-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[8-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[8-(2-fluoro-4-methylsulfonyl-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[8-(2-fluoro-4-methylsulfonylphenyl)-4-pyrido[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[8-(2-fluoro-4-methylsulfonylphenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[8-(2-fluoro-4-mesyl-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C20H19FN4O5S MolecularWeight: 446.452063

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=NC=CC3=C2N=CN=C3OC4CCN(CC4)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=NC=CC3=C2N=CN=C3OC4CCN(CC4)C(=O)O)F

InChI

InChI=1S/C20H19FN4O5S/c1-31(28,29)13-2-3-14(16(21)10-13)17-18-15(4-7-22-17)19(24-11-23-18)30-12-5-8-25(9-6-12)20(26)27/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,26,27)