(5-ethynyloxolan-3-yl) 2-[(4-methylphenyl)amino]-2-purin-9-yl-ethanoate

Systemtic Name: (5-ethynyloxolan-3-yl) 2-[(4-methylphenyl)amino]-2-purin-9-yl-ethanoate Openeye Name: (5-ethynyltetrahydrofuran-3-yl) 2-(4-methylanilino)-2-purin-9-yl-acetate CAS Name: 2-(4-methylanilino)-2-(9-purinyl)acetic acid (5-ethynyl-3-oxolanyl) ester IUPAC Name: (5-ethynyloxolan-3-yl) 2-(4-methylanilino)-2-purin-9-ylacetate Traditional Name: 2-(p-toluidino)-2-purin-9-yl-acetic acid (5-ethynyltetrahydrofuran-3-yl) ester Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3/c1-3-15-8-16(10-27-15)28-20(26)19(24-14-6-4-13(2)5-7-14)25-12-23-17-9-21-11-22-18(17)25/h1,4-7,9,11-12,15-16,19,24H,8,10H2,2H3