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

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C12H14N4O6 MolecularWeight: 310.26276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O

InChI

InChI=1S/C12H14N4O6/c1-5(17)21-2-6-8(18)9(19)12(22-6)16-4-15-7-10(16)13-3-14-11(7)20/h3-4,6,8-9,12,18-19H,2H2,1H3,(H,13,14,20)