[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[8-(hexylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[8-(hexylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-[8-(hexylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[8-(hexylamino)-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[8-(hexylamino)-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-[8-(hexylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H31N5O8 MolecularWeight: 493.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC=NC2=O

Isomeric SMILES

CCCCCCNC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC=NC2=O

InChI

InChI=1S/C22H31N5O8/c1-5-6-7-8-9-23-22-26-16-19(24-11-25-20(16)31)27(22)21-18(34-14(4)30)17(33-13(3)29)15(35-21)10-32-12(2)28/h11,15,17-18,21H,5-10H2,1-4H3,(H,23,26)(H,24,25,31)/t15-,17-,18-,21-/m1/s1