methyl 3,4,5-triacetyloxy-6-(6-chloranylpurin-9-yl)oxane-2-carboxylate

Systemtic Name: methyl 3,4,5-triacetyloxy-6-(6-chloranylpurin-9-yl)oxane-2-carboxylate Openeye Name: methyl 3,4,5-triacetoxy-6-(6-chloropurin-9-yl)tetrahydropyran-2-carboxylate CAS Name: 3,4,5-triacetyloxy-6-(6-chloro-9-purinyl)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl 3,4,5-triacetyloxy-6-(6-chloropurin-9-yl)oxane-2-carboxylate Traditional Name: 3,4,5-triacetoxy-6-(6-chloropurin-9-yl)tetrahydropyran-2-carboxylic acid methyl ester Formula: C18H19ClN4O9 MolecularWeight: 470.81786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3Cl)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3Cl)C(=O)OC)OC(=O)C

InChI

InChI=1S/C18H19ClN4O9/c1-7(24)29-11-12(30-8(2)25)14(18(27)28-4)32-17(13(11)31-9(3)26)23-6-22-10-15(19)20-5-21-16(10)23/h5-6,11-14,17H,1-4H3