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

Systemtic Name: propan-2-yl 4-[9-(2-fluoranyl-4-methylsulfonyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[9-(2-fluoro-4-methylsulfonyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[9-(2-fluoro-4-methylsulfonylphenyl)-6-purinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[9-(2-fluoro-4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[9-(2-fluoro-4-mesyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C21H24FN5O5S MolecularWeight: 477.509163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2N=CN3C4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2N=CN3C4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-18-19(23-11-24-20)27(12-25-18)17-5-4-15(10-16(17)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3