[3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-benzoyloxy-propyl] benzoate CAS Name: benzoic acid [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-benzoyloxypropyl] ester IUPAC Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-benzoyloxypropyl] benzoate Traditional Name: benzoic acid [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methoxy]-2-benzoyloxy-propyl] ester Formula: C23H23N5O6 MolecularWeight: 465.45862

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCC(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1COCC(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)NC(=NC2=O)N

InChI

InChI=1S/C23H23N5O6/c24-23-26-19-18(20(29)27-23)25-13-28(19)14-32-11-17(34-22(31)16-9-5-2-6-10-16)12-33-21(30)15-7-3-1-4-8-15/h1-10,17,25H,11-14H2,(H3,24,26,27,29)