methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-3-carboxylate

Systemtic Name: methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-3-carboxylate Openeye Name: methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-carboxylate CAS Name: (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)oxolane-3-carboxylate Traditional Name: (2S,3S,5R)-5-(6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(OC1CO)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5/c1-20-12(19)6-2-8(21-7(6)3-17)16-5-15-9-10(16)13-4-14-11(9)18/h4-8,17H,2-3H2,1H3,(H,13,14,18)/t6-,7+,8+/m0/s1