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

Systemtic Name: [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-5-(6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CO)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C12H14N4O5/c1-6(18)20-7-2-9(21-8(7)3-17)16-5-15-10-11(16)13-4-14-12(10)19/h4-5,7-9,17H,2-3H2,1H3,(H,13,14,19)/t7-,8+,9+/m0/s1