propan-2-yl 4-[9-[2,5-bis(fluoranyl)-4-methylsulfonyl-phenyl]purin-6-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[9-[2,5-bis(fluoranyl)-4-methylsulfonyl-phenyl]purin-6-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[9-(2,5-difluoro-4-methylsulfonyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[9-(2,5-difluoro-4-methylsulfonylphenyl)-6-purinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[9-(2,5-difluoro-4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[9-(2,5-difluoro-4-mesyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C21H23F2N5O5S MolecularWeight: 495.499626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2N=CN3C4=CC(=C(C=C4F)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2N=CN3C4=CC(=C(C=C4F)S(=O)(=O)C)F

InChI

InChI=1S/C21H23F2N5O5S/c1-12(2)32-21(29)27-6-4-13(5-7-27)33-20-18-19(24-10-25-20)28(11-26-18)16-8-15(23)17(9-14(16)22)34(3,30)31/h8-13H,4-7H2,1-3H3