[(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4R,5R)-4-acetoxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4R,5R)-4-acetoxy-5-adenin-9-yl-tetrahydrofuran-2-yl]methyl ester Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5/c1-11(25)28-14-7-13(8-27-19(26)12-5-3-2-4-6-12)29-18(14)24-10-23-15-16(20)21-9-22-17(15)24/h2-6,9-10,13-14,18H,7-8H2,1H3,(H2,20,21,22)/t13-,14+,18+/m0/s1