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

Systemtic Name: ethyl (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-chloranylpurin-9-yl)oxolane-2-carboxylate Openeye Name: ethyl (2S,3S,4R,5R)-3,4-diacetoxy-5-(6-chloropurin-9-yl)tetrahydrofuran-2-carboxylate CAS Name: (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-chloro-9-purinyl)-2-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-chloropurin-9-yl)oxolane-2-carboxylate Traditional Name: (2S,3S,4R,5R)-3,4-diacetoxy-5-(6-chloropurin-9-yl)tetrahydrofuran-2-carboxylic acid ethyl ester Formula: C16H17ClN4O7 MolecularWeight: 412.78178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H17ClN4O7/c1-4-25-16(24)12-10(26-7(2)22)11(27-8(3)23)15(28-12)21-6-20-9-13(17)18-5-19-14(9)21/h5-6,10-12,15H,4H2,1-3H3/t10-,11+,12-,15+/m0/s1