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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCOC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCOC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)NC(=NC2=O)N

InChI

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