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

Systemtic Name: (5-ethynyloxolan-3-yl) 2-[(2-fluoranyl-5-methyl-phenyl)amino]-2-purin-9-yl-ethanoate Openeye Name: (5-ethynyltetrahydrofuran-3-yl) 2-(2-fluoro-5-methyl-anilino)-2-purin-9-yl-acetate CAS Name: 2-(2-fluoro-5-methylanilino)-2-(9-purinyl)acetic acid (5-ethynyl-3-oxolanyl) ester IUPAC Name: (5-ethynyloxolan-3-yl) 2-(2-fluoro-5-methylanilino)-2-purin-9-ylacetate Traditional Name: 2-(2-fluoro-5-methyl-anilino)-2-purin-9-yl-acetic acid (5-ethynyltetrahydrofuran-3-yl) ester Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(C(=O)OC2CC(OC2)C#C)N3C=NC4=CN=CN=C43

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(C(=O)OC2CC(OC2)C#C)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C20H18FN5O3/c1-3-13-7-14(9-28-13)29-20(27)19(25-16-6-12(2)4-5-15(16)21)26-11-24-17-8-22-10-23-18(17)26/h1,4-6,8,10-11,13-14,19,25H,7,9H2,2H3