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

Systemtic Name: [6-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-4,5-diacetyloxy-oxan-3-yl] ethanoate Openeye Name: [6-(2-acetamido-6-oxo-3H-purin-9-yl)-4,5-diacetoxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [6-(2-acetamido-6-oxo-3H-purin-9-yl)-4,5-diacetyloxy-3-oxanyl] ester IUPAC Name: [6-(2-acetamido-6-oxo-3H-purin-9-yl)-4,5-diacetyloxyoxan-3-yl] acetate Traditional Name: acetic acid [6-(2-acetamido-6-keto-3H-purin-9-yl)-4,5-diacetoxy-tetrahydropyran-3-yl] ester Formula: C18H21N5O9 MolecularWeight: 451.38744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

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