[3-acetyloxy-4-ethanoyl-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-4-ethanoyl-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-4-acetyl-4-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [4-acetyl-3-acetyloxy-4-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [4-acetyl-3-acetyloxy-4-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-4-acetyl-4-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H18N4O8 MolecularWeight: 394.33612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(C(OC1N2C=NC3=C2NC=NC3=O)COC(=O)C)OC(=O)C)O

Isomeric SMILES

CC(=O)C1(C(C(OC1N2C=NC3=C2NC=NC3=O)COC(=O)C)OC(=O)C)O

InChI

InChI=1S/C16H18N4O8/c1-7(21)16(25)12(27-9(3)23)10(4-26-8(2)22)28-15(16)20-6-19-11-13(20)17-5-18-14(11)24/h5-6,10,12,15,25H,4H2,1-3H3,(H,17,18,24)