[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

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