[4-[2-(6-chloranyl-2-cyano-purin-9-yl)ethanoyloxy]oxolan-2-yl]methyl benzoate

Systemtic Name: [4-[2-(6-chloranyl-2-cyano-purin-9-yl)ethanoyloxy]oxolan-2-yl]methyl benzoate Openeye Name: [4-[2-(6-chloro-2-cyano-purin-9-yl)acetyl]oxytetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-[2-(6-chloro-2-cyano-9-purinyl)-1-oxoethoxy]-2-oxolanyl]methyl ester IUPAC Name: [4-[2-(6-chloro-2-cyanopurin-9-yl)acetyl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-[2-(6-chloro-2-cyano-purin-9-yl)acetyl]oxytetrahydrofuran-2-yl]methyl ester Formula: C20H16ClN5O5 MolecularWeight: 441.82454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1COC(=O)C2=CC=CC=C2)OC(=O)CN3C=NC4=C3N=C(N=C4Cl)C#N

Isomeric SMILES

C1C(COC1COC(=O)C2=CC=CC=C2)OC(=O)CN3C=NC4=C3N=C(N=C4Cl)C#N

InChI

InChI=1S/C20H16ClN5O5/c21-18-17-19(25-15(7-22)24-18)26(11-23-17)8-16(27)31-14-6-13(29-10-14)9-30-20(28)12-4-2-1-3-5-12/h1-5,11,13-14H,6,8-10H2