3-[[2-azanyl-6-oxidanylidene-1-(phenylcarbonyl)-7,8-dihydropurin-9-yl]-propanoyloxy-methoxy]propyl propanoate

Systemtic Name: 3-[[2-azanyl-6-oxidanylidene-1-(phenylcarbonyl)-7,8-dihydropurin-9-yl]-propanoyloxy-methoxy]propyl propanoate Openeye Name: 3-[(2-amino-1-benzoyl-6-oxo-7,8-dihydropurin-9-yl)-propanoyloxy-methoxy]propyl propanoate CAS Name: propanoic acid 3-[(2-amino-1-benzoyl-6-oxo-7,8-dihydropurin-9-yl)-(1-oxopropoxy)methoxy]propyl ester IUPAC Name: 3-[(2-amino-1-benzoyl-6-oxo-7,8-dihydropurin-9-yl)-propanoyloxymethoxy]propyl propanoate Traditional Name: propionic acid 3-[(2-amino-1-benzoyl-6-keto-7,8-dihydropurin-9-yl)-propionyloxy-methoxy]propyl ester Formula: C22H27N5O7 MolecularWeight: 473.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCOC(N1CNC2=C1N=C(N(C2=O)C(=O)C3=CC=CC=C3)N)OC(=O)CC

Isomeric SMILES

CCC(=O)OCCCOC(N1CNC2=C1N=C(N(C2=O)C(=O)C3=CC=CC=C3)N)OC(=O)CC

InChI

InChI=1S/C22H27N5O7/c1-3-15(28)32-11-8-12-33-22(34-16(29)4-2)26-13-24-17-18(26)25-21(23)27(20(17)31)19(30)14-9-6-5-7-10-14/h5-7,9-10,22,24H,3-4,8,11-13H2,1-2H3,(H2,23,25)