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

Systemtic Name: propan-2-yl 4-[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]purin-9-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(2-fluoro-4-methylsulfonyl-anilino)purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[6-(2-fluoro-4-methylsulfonylanilino)-9-purinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(2-fluoro-4-methylsulfonylanilino)purin-9-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(2-fluoro-4-mesyl-anilino)purin-9-yl]piperidine-1-carboxylic acid isopropyl ester Formula: C21H25FN6O4S MolecularWeight: 476.524403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)N2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)N2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C21H25FN6O4S/c1-13(2)32-21(29)27-8-6-14(7-9-27)28-12-25-18-19(23-11-24-20(18)28)26-17-5-4-15(10-16(17)22)33(3,30)31/h4-5,10-14H,6-9H2,1-3H3,(H,23,24,26)