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

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O6/c1-6(2)14(22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(18)15-4-16-12(8)21/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,15,16,21)