[5-(8-acetamido-6-oxidanylidene-3H-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(8-acetamido-6-oxidanylidene-3H-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(8-acetamido-6-oxo-3H-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(8-acetamido-6-oxo-3H-purin-9-yl)-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(8-acetamido-6-oxo-3H-purin-9-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(8-acetamido-6-keto-3H-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H21N5O9 MolecularWeight: 451.38744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC=NC2=O

Isomeric SMILES

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC=NC2=O

InChI

InChI=1S/C18H21N5O9/c1-7(24)21-18-22-12-15(19-6-20-16(12)28)23(18)17-14(31-10(4)27)13(30-9(3)26)11(32-17)5-29-8(2)25/h6,11,13-14,17H,5H2,1-4H3,(H,19,20,28)(H,21,22,24)