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

Systemtic Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-3,4-diacetoxy-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetyloxy-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetoxy-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C20H25N5O9 MolecularWeight: 479.4406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H25N5O9/c1-8(2)17(29)23-20-22-16-13(18(30)24-20)21-7-25(16)19-15(33-11(5)28)14(32-10(4)27)12(34-19)6-31-9(3)26/h7-8,12,14-15,19H,6H2,1-5H3,(H2,22,23,24,29,30)/t12-,14+,15-,19-/m1/s1