[(2R,3S,5R)-5-(6-chloranylpurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5R)-5-(6-chloranylpurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(6-chloropurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(6-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(6-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(6-chloropurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H15ClN4O4 MolecularWeight: 374.7784

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C17H15ClN4O4/c18-15-14-16(20-8-19-15)22(9-21-14)13-6-11(23)12(26-13)7-25-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13,23H,6-7H2/t11-,12+,13+/m0/s1