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

Systemtic Name: [2-[[6-oxidanylidene-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxy-propyl] propanoate Openeye Name: [3-benzyloxy-2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]propyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-benzoxy-2-[(6-keto-2-propionamido-3H-purin-9-yl)methoxy]propyl] ester Formula: C22H27N5O6 MolecularWeight: 457.47968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O6/c1-3-17(28)24-22-25-20-19(21(30)26-22)23-13-27(20)14-33-16(12-32-18(29)4-2)11-31-10-15-8-6-5-7-9-15/h5-9,13,16H,3-4,10-12,14H2,1-2H3,(H2,24,25,26,28,30)