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

Systemtic Name: [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azido-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azido-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,5R)-5-adenin-9-yl-3-azido-tetrahydrofuran-2-yl]methyl ester Formula: C17H16N8O3 MolecularWeight: 380.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C17H16N8O3/c18-15-14-16(21-8-20-15)25(9-22-14)13-6-11(23-24-19)12(28-13)7-27-17(26)10-4-2-1-3-5-10/h1-5,8-9,11-13H,6-7H2,(H2,18,20,21)/t11-,12+,13+/m0/s1