[(2S,5R)-5-(2-azanyl-8-fluoranyl-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5R)-5-(2-azanyl-8-fluoranyl-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate Openeye Name: [(2S,5R)-5-(2-amino-8-fluoro-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5R)-5-(2-amino-8-fluoro-9-purinyl)-1,3-oxaselenolan-2-yl]methyl ester IUPAC Name: [(2S,5R)-5-(2-amino-8-fluoropurin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5R)-5-(2-amino-8-fluoro-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl ester Formula: C16H14FN5O3Se MolecularWeight: 422.272463

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC([Se]1)COC(=O)C2=CC=CC=C2)N3C4=NC(=NC=C4N=C3F)N

Isomeric SMILES

C1[C@@H](O[C@@H]([Se]1)COC(=O)C2=CC=CC=C2)N3C4=NC(=NC=C4N=C3F)N

InChI

InChI=1S/C16H14FN5O3Se/c17-15-20-10-6-19-16(18)21-13(10)22(15)11-8-26-12(25-11)7-24-14(23)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2,(H2,18,19,21)/t11-,12+/m1/s1