[(2S)-5-(6-chloranylpurin-9-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S)-5-(6-chloranylpurin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S)-5-(6-chloropurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-5-(6-chloro-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-5-(6-chloropurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-5-(6-chloropurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1CC(O[C@@H]1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C17H15ClN4O3/c18-15-14-16(20-9-19-15)22(10-21-14)13-7-6-12(25-13)8-24-17(23)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2/t12-,13?/m0/s1