tert-butyl 4-[[9-(2-fluoranyl-4-methylsulfonyl-phenyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[9-(2-fluoranyl-4-methylsulfonyl-phenyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[9-(2-fluoro-4-methylsulfonyl-phenyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate CAS Name: 4-[[9-(2-fluoro-4-methylsulfonylphenyl)-7,8-dihydropurin-6-yl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[9-(2-fluoro-4-methylsulfonylphenyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate Traditional Name: 4-[[9-(2-fluoro-4-mesyl-phenyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28FN5O5S MolecularWeight: 493.551623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2NCN3C4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2NCN3C4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C22H28FN5O5S/c1-22(2,3)33-21(29)27-9-7-14(8-10-27)32-20-18-19(24-12-25-20)28(13-26-18)17-6-5-15(11-16(17)23)34(4,30)31/h5-6,11-12,14,26H,7-10,13H2,1-4H3