3,4,5-triacetyloxy-6-[(6-chloranyl-7-methyl-8H-purin-9-yl)oxy]oxane-2-carboxylic acid

Systemtic Name: 3,4,5-triacetyloxy-6-[(6-chloranyl-7-methyl-8H-purin-9-yl)oxy]oxane-2-carboxylic acid Openeye Name: 3,4,5-triacetoxy-6-[(6-chloro-7-methyl-8H-purin-9-yl)oxy]tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-triacetyloxy-6-[(6-chloro-7-methyl-8H-purin-9-yl)oxy]-2-oxanecarboxylic acid IUPAC Name: 3,4,5-triacetyloxy-6-[(6-chloro-7-methyl-8H-purin-9-yl)oxy]oxane-2-carboxylic acid Traditional Name: 3,4,5-triacetoxy-6-[(6-chloro-7-methyl-8H-purin-9-yl)oxy]tetrahydropyran-2-carboxylic acid Formula: C18H21ClN4O10 MolecularWeight: 488.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)ON2CN(C3=C2N=CN=C3Cl)C)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)ON2CN(C3=C2N=CN=C3Cl)C)C(=O)O)OC(=O)C

InChI

InChI=1S/C18H21ClN4O10/c1-7(24)29-11-12(30-8(2)25)14(31-9(3)26)18(32-13(11)17(27)28)33-23-6-22(4)10-15(19)20-5-21-16(10)23/h5,11-14,18H,6H2,1-4H3,(H,27,28)