5-[4-[5-ethynyl-6-(2-fluoranyl-4-methylsulfonyl-phenoxy)pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[4-[5-ethynyl-6-(2-fluoranyl-4-methylsulfonyl-phenoxy)pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 5-[4-[5-ethynyl-6-(2-fluoro-4-methylsulfonyl-phenoxy)pyrimidin-4-yl]oxy-1-piperidyl]-3-isopropyl-1,2,4-oxadiazole CAS Name: 5-[4-[[5-ethynyl-6-(2-fluoro-4-methylsulfonylphenoxy)-4-pyrimidinyl]oxy]-1-piperidinyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[4-[5-ethynyl-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 5-[4-[5-ethynyl-6-(2-fluoro-4-mesyl-phenoxy)pyrimidin-4-yl]oxypiperidino]-3-isopropyl-1,2,4-oxadiazole Formula: C23H24FN5O5S MolecularWeight: 501.530563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC(=C3C#C)OC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC(=C3C#C)OC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C23H24FN5O5S/c1-5-17-21(32-15-8-10-29(11-9-15)23-27-20(14(2)3)28-34-23)25-13-26-22(17)33-19-7-6-16(12-18(19)24)35(4,30)31/h1,6-7,12-15H,8-11H2,2-4H3