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

Systemtic Name: [2-cyano-5-(2-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [2-cyano-5-(2-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [2-cyano-5-(2-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [2-cyano-5-(2-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [2-cyano-5-(2-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCC(O1)N2C=NC3=C2NC(=O)N=C3)C#N

Isomeric SMILES

CC(=O)OCC1(CCC(O1)N2C=NC3=C2NC(=O)N=C3)C#N

InChI

InChI=1S/C13H13N5O4/c1-8(19)21-6-13(5-14)3-2-10(22-13)18-7-16-9-4-15-12(20)17-11(9)18/h4,7,10H,2-3,6H2,1H3,(H,15,17,20)