[2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenoxyethanoyloxy)oxolan-3-yl] 2-phenoxyethanoate

Systemtic Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenoxyethanoyloxy)oxolan-3-yl] 2-phenoxyethanoate Openeye Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenoxyacetyl)oxy-tetrahydrofuran-3-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)-4-(1-oxo-2-phenoxyethoxy)-3-oxolanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenoxyacetyl)oxyoxolan-3-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [5-(6-methoxypurin-9-yl)-2-methylol-4-(2-phenoxyacetyl)oxy-tetrahydrofuran-3-yl] ester Formula: C27H26N4O9 MolecularWeight: 550.51674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)COC4=CC=CC=C4)OC(=O)COC5=CC=CC=C5

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)COC4=CC=CC=C4)OC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O9/c1-35-26-22-25(28-15-29-26)31(16-30-22)27-24(40-21(34)14-37-18-10-6-3-7-11-18)23(19(12-32)38-27)39-20(33)13-36-17-8-4-2-5-9-17/h2-11,15-16,19,23-24,27,32H,12-14H2,1H3