4-[9-(2-fluoranyl-4-methylsulfonyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[9-(2-fluoranyl-4-methylsulfonyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[9-(2-fluoro-4-methylsulfonyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[9-(2-fluoro-4-methylsulfonylphenyl)-6-purinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[9-(2-fluoro-4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[9-(2-fluoro-4-mesyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Formula: C18H18FN5O5S MolecularWeight: 435.429423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C=NC3=C2N=CN=C3OC4CCN(CC4)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C=NC3=C2N=CN=C3OC4CCN(CC4)C(=O)O)F

InChI

InChI=1S/C18H18FN5O5S/c1-30(27,28)12-2-3-14(13(19)8-12)24-10-22-15-16(24)20-9-21-17(15)29-11-4-6-23(7-5-11)18(25)26/h2-3,8-11H,4-7H2,1H3,(H,25,26)