[2-[(2-acetamido-6-oxidanylidene-3,9-dihydropurin-7-ium-7-yl)methoxy]-3-acetyloxy-propyl] ethanoate

Systemtic Name: [2-[(2-acetamido-6-oxidanylidene-3,9-dihydropurin-7-ium-7-yl)methoxy]-3-acetyloxy-propyl] ethanoate Openeye Name: [2-[(2-acetamido-6-oxo-3,9-dihydropurin-7-ium-7-yl)methoxy]-3-acetoxy-propyl] acetate CAS Name: acetic acid [2-[(2-acetamido-6-oxo-3,9-dihydropurin-7-ium-7-yl)methoxy]-3-acetyloxypropyl] ester IUPAC Name: [2-[(2-acetamido-6-oxo-3,9-dihydropurin-7-ium-7-yl)methoxy]-3-acetyloxypropyl] acetate Traditional Name: acetic acid [2-[(2-acetamido-6-keto-3,9-dihydropurin-7-ium-7-yl)methoxy]-3-acetoxy-propyl] ester Formula: C15H20N5O7+ MolecularWeight: 382.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)NC=[N+]2COC(COC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)NC=[N+]2COC(COC(=O)C)COC(=O)C

InChI

InChI=1S/C15H19N5O7/c1-8(21)17-15-18-13-12(14(24)19-15)20(6-16-13)7-27-11(4-25-9(2)22)5-26-10(3)23/h6,11H,4-5,7H2,1-3H3,(H2,17,18,19,21,24)/p+1