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

Systemtic Name: (5-ethynyloxolan-3-yl) 2-[(3-chloranyl-2-fluoranyl-phenyl)amino]-2-purin-9-yl-ethanoate Openeye Name: (5-ethynyltetrahydrofuran-3-yl) 2-(3-chloro-2-fluoro-anilino)-2-purin-9-yl-acetate CAS Name: 2-(3-chloro-2-fluoroanilino)-2-(9-purinyl)acetic acid (5-ethynyl-3-oxolanyl) ester IUPAC Name: (5-ethynyloxolan-3-yl) 2-(3-chloro-2-fluoroanilino)-2-purin-9-ylacetate Traditional Name: 2-(3-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(=CC=C2)Cl)F)N3C=NC4=CN=CN=C43

Isomeric SMILES

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

InChI

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