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

Systemtic Name: 3-[(2-azanyl-1-ethanoyl-6-oxidanylidene-7,8-dihydropurin-9-yl)-propanoyloxy-methoxy]propyl propanoate Openeye Name: 3-[(1-acetyl-2-amino-6-oxo-7,8-dihydropurin-9-yl)-propanoyloxy-methoxy]propyl propanoate CAS Name: propanoic acid 3-[(1-acetyl-2-amino-6-oxo-7,8-dihydropurin-9-yl)-(1-oxopropoxy)methoxy]propyl ester IUPAC Name: 3-[(1-acetyl-2-amino-6-oxo-7,8-dihydropurin-9-yl)-propanoyloxymethoxy]propyl propanoate Traditional Name: propionic acid 3-[(1-acetyl-2-amino-6-keto-7,8-dihydropurin-9-yl)-propionyloxy-methoxy]propyl ester Formula: C17H25N5O7 MolecularWeight: 411.4097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O7/c1-4-11(24)27-7-6-8-28-17(29-12(25)5-2)21-9-19-13-14(21)20-16(18)22(10(3)23)15(13)26/h17,19H,4-9H2,1-3H3,(H2,18,20)