(4-acetyloxy-5-ethynyl-oxolan-3-yl) 2-[6-[(4-chloranyl-2-fluoranyl-phenyl)amino]purin-9-yl]ethanoate

Systemtic Name: (4-acetyloxy-5-ethynyl-oxolan-3-yl) 2-[6-[(4-chloranyl-2-fluoranyl-phenyl)amino]purin-9-yl]ethanoate Openeye Name: (4-acetoxy-5-ethynyl-tetrahydrofuran-3-yl) 2-[6-(4-chloro-2-fluoro-anilino)purin-9-yl]acetate CAS Name: 2-[6-(4-chloro-2-fluoroanilino)-9-purinyl]acetic acid (4-acetyloxy-5-ethynyl-3-oxolanyl) ester IUPAC Name: (4-acetyloxy-5-ethynyloxolan-3-yl) 2-[6-(4-chloro-2-fluoroanilino)purin-9-yl]acetate Traditional Name: 2-[6-(4-chloro-2-fluoro-anilino)purin-9-yl]acetic acid (4-acetoxy-5-ethynyl-tetrahydrofuran-3-yl) ester Formula: C21H17ClFN5O5 MolecularWeight: 473.841583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(COC1C#C)OC(=O)CN2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

CC(=O)OC1C(COC1C#C)OC(=O)CN2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C21H17ClFN5O5/c1-3-15-19(32-11(2)29)16(8-31-15)33-17(30)7-28-10-26-18-20(24-9-25-21(18)28)27-14-5-4-12(22)6-13(14)23/h1,4-6,9-10,15-16,19H,7-8H2,2H3,(H,24,25,27)