[(2R,3S,4R,5R)-5-(6-acetamido-8-oxidanylidene-7H-purin-9-yl)-3-acetyloxy-4-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-acetamido-8-oxidanylidene-7H-purin-9-yl)-3-acetyloxy-4-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-5-(6-acetamido-8-oxo-7H-purin-9-yl)-3-acetoxy-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-5-(6-acetamido-8-oxo-7H-purin-9-yl)-3-acetyloxy-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-acetamido-8-oxo-7H-purin-9-yl)-3-acetyloxy-4-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-5-(6-acetamido-8-keto-7H-purin-9-yl)-3-acetoxy-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H19N5O8 MolecularWeight: 409.35076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=NC2=C1NC(=O)N2C3C(C(C(O3)COC(=O)C)OC(=O)C)O

Isomeric SMILES

CC(=O)NC1=NC=NC2=C1NC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)O

InChI

InChI=1S/C16H19N5O8/c1-6(22)19-13-10-14(18-5-17-13)21(16(26)20-10)15-11(25)12(28-8(3)24)9(29-15)4-27-7(2)23/h5,9,11-12,15,25H,4H2,1-3H3,(H,20,26)(H,17,18,19,22)/t9-,11-,12-,15-/m1/s1