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

Systemtic Name: 4-[9-[2-fluoranyl-4-(propanoylsulfamoyl)phenyl]purin-6-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[9-[2-fluoro-4-(propanoylsulfamoyl)phenyl]purin-6-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[9-[2-fluoro-4-(1-oxopropylsulfamoyl)phenyl]-6-purinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[9-[2-fluoro-4-(propanoylsulfamoyl)phenyl]purin-6-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[9-[2-fluoro-4-(propionylsulfamoyl)phenyl]purin-6-yl]oxypiperidine-1-carboxylic acid Formula: C20H21FN6O6S MolecularWeight: 492.480743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6O6S/c1-2-16(28)25-34(31,32)13-3-4-15(14(21)9-13)27-11-24-17-18(27)22-10-23-19(17)33-12-5-7-26(8-6-12)20(29)30/h3-4,9-12H,2,5-8H2,1H3,(H,25,28)(H,29,30)