(5-ethynyloxolan-3-yl) 2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-purin-9-yl-ethanoate

Systemtic Name: (5-ethynyloxolan-3-yl) 2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-purin-9-yl-ethanoate Openeye Name: (5-ethynyltetrahydrofuran-3-yl) 2-(4-chloro-2-fluoro-anilino)-2-purin-9-yl-acetate CAS Name: 2-(4-chloro-2-fluoroanilino)-2-(9-purinyl)acetic acid (5-ethynyl-3-oxolanyl) ester IUPAC Name: (5-ethynyloxolan-3-yl) 2-(4-chloro-2-fluoroanilino)-2-purin-9-ylacetate Traditional Name: 2-(4-chloro-2-fluoro-anilino)-2-purin-9-yl-acetic acid (5-ethynyltetrahydrofuran-3-yl) ester Formula: C19H15ClFN5O3 MolecularWeight: 415.805503

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CC(CO1)OC(=O)C(NC2=C(C=C(C=C2)Cl)F)N3C=NC4=CN=CN=C43

Isomeric SMILES

C#CC1CC(CO1)OC(=O)C(NC2=C(C=C(C=C2)Cl)F)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C19H15ClFN5O3/c1-2-12-6-13(8-28-12)29-19(27)18(25-15-4-3-11(20)5-14(15)21)26-10-24-16-7-22-9-23-17(16)26/h1,3-5,7,9-10,12-13,18,25H,6,8H2