[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-chloranyl-6-(2-pentylimidazol-1-yl)purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-chloranyl-6-(2-pentylimidazol-1-yl)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-[2-chloro-6-(2-pentylimidazol-1-yl)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-chloro-6-(2-pentyl-1-imidazolyl)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-chloro-6-(2-pentylimidazol-1-yl)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-(2-amylimidazol-1-yl)-2-chloro-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C24H29ClN6O7 MolecularWeight: 548.97606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=CN1C2=NC(=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)Cl

Isomeric SMILES

CCCCCC1=NC=CN1C2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)Cl

InChI

InChI=1S/C24H29ClN6O7/c1-5-6-7-8-17-26-9-10-30(17)21-18-22(29-24(25)28-21)31(12-27-18)23-20(37-15(4)34)19(36-14(3)33)16(38-23)11-35-13(2)32/h9-10,12,16,19-20,23H,5-8,11H2,1-4H3/t16-,19-,20-,23-/m1/s1