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

Systemtic Name: [5-(6-aminopurin-9-yl)-2-cyano-3-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(6-aminopurin-9-yl)-2-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(6-aminopurin-9-yl)-2-cyano-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-cyano-3-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid (5-adenin-9-yl-2-cyano-3-hydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=CN=C3N)O)C#N

Isomeric SMILES

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=CN=C3N)O)C#N

InChI

InChI=1S/C13H14N6O4/c1-7(20)22-4-13(3-14)8(21)2-9(23-13)19-6-18-10-11(15)16-5-17-12(10)19/h5-6,8-9,21H,2,4H2,1H3,(H2,15,16,17)