[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-iodanyl-6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-iodanyl-6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-[2-iodo-6-(tetrahydrofuran-2-ylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-iodo-6-(2-oxolanylmethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-iodo-6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-[2-iodo-6-(tetrahydrofurfurylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C21H26IN5O8 MolecularWeight: 603.36431

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4CCCO4)I)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3NCC4CCCO4)I)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H26IN5O8/c1-10(28)32-8-14-16(33-11(2)29)17(34-12(3)30)20(35-14)27-9-24-15-18(25-21(22)26-19(15)27)23-7-13-5-4-6-31-13/h9,13-14,16-17,20H,4-8H2,1-3H3,(H,23,25,26)/t13?,14-,16-,17-,20-/m1/s1