[4-[2-(6-chloranylpurin-9-yl)ethanoyloxy]oxolan-2-yl]methyl benzoate

Systemtic Name: [4-[2-(6-chloranylpurin-9-yl)ethanoyloxy]oxolan-2-yl]methyl benzoate Openeye Name: [4-[2-(6-chloropurin-9-yl)acetyl]oxytetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-[2-(6-chloro-9-purinyl)-1-oxoethoxy]-2-oxolanyl]methyl ester IUPAC Name: [4-[2-(6-chloropurin-9-yl)acetyl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-[2-(6-chloropurin-9-yl)acetyl]oxytetrahydrofuran-2-yl]methyl ester Formula: C19H17ClN4O5 MolecularWeight: 416.81508

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1COC(=O)C2=CC=CC=C2)OC(=O)CN3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1C(COC1COC(=O)C2=CC=CC=C2)OC(=O)CN3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C19H17ClN4O5/c20-17-16-18(22-10-21-17)24(11-23-16)7-15(25)29-14-6-13(27-9-14)8-28-19(26)12-4-2-1-3-5-12/h1-5,10-11,13-14H,6-9H2