[2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenylethanoyloxy)oxolan-3-yl] 2-phenylethanoate

Systemtic Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenylethanoyloxy)oxolan-3-yl] 2-phenylethanoate Openeye Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenylacetyl)oxy-tetrahydrofuran-3-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)-4-(1-oxo-2-phenylethoxy)-3-oxolanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(2-phenylacetyl)oxyoxolan-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [5-(6-methoxypurin-9-yl)-2-methylol-4-(2-phenylacetyl)oxy-tetrahydrofuran-3-yl] ester Formula: C27H26N4O7 MolecularWeight: 518.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)CC4=CC=CC=C4)OC(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)CC4=CC=CC=C4)OC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O7/c1-35-26-22-25(28-15-29-26)31(16-30-22)27-24(38-21(34)13-18-10-6-3-7-11-18)23(19(14-32)36-27)37-20(33)12-17-8-4-2-5-9-17/h2-11,15-16,19,23-24,27,32H,12-14H2,1H3