[2-[[6-oxidanylidene-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-propanoyloxy-propyl] propanoate

Systemtic Name: [2-[[6-oxidanylidene-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-propanoyloxy-propyl] propanoate Openeye Name: [2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-propanoyloxy-propyl] propanoate CAS Name: propanoic acid [2-[[6-oxo-2-(1-oxopropylamino)-3H-purin-9-yl]methoxy]-3-(1-oxopropoxy)propyl] ester IUPAC Name: [2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-propanoyloxypropyl] propanoate Traditional Name: propionic acid [2-[(6-keto-2-propionamido-3H-purin-9-yl)methoxy]-3-propionyloxy-propyl] ester Formula: C18H25N5O7 MolecularWeight: 423.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(COC(=O)CC)COC(=O)CC

Isomeric SMILES

CCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(COC(=O)CC)COC(=O)CC

InChI

InChI=1S/C18H25N5O7/c1-4-12(24)20-18-21-16-15(17(27)22-18)19-9-23(16)10-30-11(7-28-13(25)5-2)8-29-14(26)6-3/h9,11H,4-8,10H2,1-3H3,(H2,20,21,22,24,27)