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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-cyano-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-cyano-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-2-cyano-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-cyanooxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(2-amino-6-keto-3H-purin-9-yl)-2-cyano-tetrahydrofuran-2-yl]methyl ester Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O4/c1-7(20)22-5-13(4-14)3-2-8(23-13)19-6-16-9-10(19)17-12(15)18-11(9)21/h6,8H,2-3,5H2,1H3,(H3,15,17,18,21)