[(2S,5R)-5-(2-chloranylpurin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5R)-5-(2-chloranylpurin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate Openeye Name: [(2S,5R)-5-(2-chloropurin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5R)-5-(2-chloro-9-purinyl)-1,3-oxaselenolan-2-yl]methyl ester IUPAC Name: [(2S,5R)-5-(2-chloropurin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5R)-5-(2-chloropurin-9-yl)-1,3-oxaselenolan-2-yl]methyl ester Formula: C16H13ClN4O3Se MolecularWeight: 423.71242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC([Se]1)COC(=O)C2=CC=CC=C2)N3C=NC4=CN=C(N=C43)Cl

Isomeric SMILES

C1[C@@H](O[C@@H]([Se]1)COC(=O)C2=CC=CC=C2)N3C=NC4=CN=C(N=C43)Cl

InChI

InChI=1S/C16H13ClN4O3Se/c17-16-18-6-11-14(20-16)21(9-19-11)12-8-25-13(24-12)7-23-15(22)10-4-2-1-3-5-10/h1-6,9,12-13H,7-8H2/t12-,13+/m1/s1