[5-(6-chloranylpurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] benzoate

Systemtic Name: [5-(6-chloranylpurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] benzoate Openeye Name: [5-(6-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(6-chloro-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(6-chloropurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester Formula: C17H15ClN4O5 MolecularWeight: 390.7778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4Cl)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4Cl)CO

InChI

InChI=1S/C17H15ClN4O5/c18-14-11-15(20-7-19-14)22(8-21-11)16-12(24)13(10(6-23)26-16)27-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2