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

Systemtic Name: [2-cyano-3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [2-cyano-3-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [2-cyano-3-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [2-cyano-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [2-cyano-3-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2NC=NC3=O)O)C#N

Isomeric SMILES

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2NC=NC3=O)O)C#N

InChI

InChI=1S/C13H13N5O5/c1-7(19)22-4-13(3-14)8(20)2-9(23-13)18-6-17-10-11(18)15-5-16-12(10)21/h5-6,8-9,20H,2,4H2,1H3,(H,15,16,21)