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

Systemtic Name: [2-[[6-oxidanylidene-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxy-propyl] ethanoate Openeye Name: [3-benzyloxy-2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]propyl] acetate CAS Name: acetic acid [2-[[6-oxo-2-(1-oxopropylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxypropyl] ester IUPAC Name: [2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxypropyl] acetate Traditional Name: acetic acid [3-benzoxy-2-[(6-keto-2-propionamido-3H-purin-9-yl)methoxy]propyl] ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(COCC3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(COCC3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C21H25N5O6/c1-3-17(28)23-21-24-19-18(20(29)25-21)22-12-26(19)13-32-16(11-31-14(2)27)10-30-9-15-7-5-4-6-8-15/h4-8,12,16H,3,9-11,13H2,1-2H3,(H2,23,24,25,28,29)