[4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] ethanoate

Systemtic Name: [4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] ethanoate Openeye Name: [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetoxymethyl)butyl] acetate CAS Name: acetic acid [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] ester IUPAC Name: [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] acetate Traditional Name: acetic acid [4-(2-acetamido-6-keto-3H-purin-9-yl)-2-(acetoxymethyl)butyl] ester Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CCC(COC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CCC(COC(=O)C)COC(=O)C

InChI

InChI=1S/C16H21N5O6/c1-9(22)18-16-19-14-13(15(25)20-16)17-8-21(14)5-4-12(6-26-10(2)23)7-27-11(3)24/h8,12H,4-7H2,1-3H3,(H2,18,19,20,22,25)