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

Systemtic Name: [(2R,3S,4R,5R)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3-acetyloxy-4-deuterio-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-acetoxy-4-deuterio-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-acetyloxy-4-deuterio-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-acetyloxy-4-deuteriooxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-5-(2-acetamido-6-keto-3H-purin-9-yl)-3-acetoxy-4-deuterio-tetrahydrofuran-2-yl]methyl ester Formula: C16H19N5O7 MolecularWeight: 394.357522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(=O)C)OC(=O)C

Isomeric SMILES

[H][C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)NC(=O)C)COC(=O)C)OC(=O)C)[2H]

InChI

InChI=1S/C16H19N5O7/c1-7(22)18-16-19-14-13(15(25)20-16)17-6-21(14)12-4-10(27-9(3)24)11(28-12)5-26-8(2)23/h6,10-12H,4-5H2,1-3H3,(H2,18,19,20,22,25)/t10-,11+,12+/m0/s1/i4D/t4-,10+,11-,12-/m1