ethyl (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-2-carboxylate

Systemtic Name: ethyl (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-2-carboxylate Openeye Name: ethyl (2S,3S,4R,5R)-3,4-diacetoxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-carboxylate CAS Name: (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-oxo-3H-purin-9-yl)oxolane-2-carboxylate Traditional Name: (2S,3S,4R,5R)-3,4-diacetoxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-carboxylic acid ethyl ester Formula: C16H18N4O8 MolecularWeight: 394.33612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(O1)N2C=NC3=C2NC=NC3=O)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H18N4O8/c1-4-25-16(24)12-10(26-7(2)21)11(27-8(3)22)15(28-12)20-6-19-9-13(20)17-5-18-14(9)23/h5-6,10-12,15H,4H2,1-3H3,(H,17,18,23)/t10-,11+,12-,15+/m0/s1