[3-oxidanyl-2-[[6-oxidanylidene-2-(pentanoylamino)-3H-purin-9-yl]methoxy]propyl] pentanoate

Systemtic Name: [3-oxidanyl-2-[[6-oxidanylidene-2-(pentanoylamino)-3H-purin-9-yl]methoxy]propyl] pentanoate Openeye Name: [3-hydroxy-2-[[6-oxo-2-(pentanoylamino)-3H-purin-9-yl]methoxy]propyl] pentanoate CAS Name: pentanoic acid [3-hydroxy-2-[[6-oxo-2-(1-oxopentylamino)-3H-purin-9-yl]methoxy]propyl] ester IUPAC Name: [3-hydroxy-2-[[6-oxo-2-(pentanoylamino)-3H-purin-9-yl]methoxy]propyl] pentanoate Traditional Name: valeric acid [3-hydroxy-2-[[6-keto-2-(valerylamino)-3H-purin-9-yl]methoxy]propyl] ester Formula: C19H29N5O6 MolecularWeight: 423.46346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(CO)COC(=O)CCCC

Isomeric SMILES

CCCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(CO)COC(=O)CCCC

InChI

InChI=1S/C19H29N5O6/c1-3-5-7-14(26)21-19-22-17-16(18(28)23-19)20-11-24(17)12-30-13(9-25)10-29-15(27)8-6-4-2/h11,13,25H,3-10,12H2,1-2H3,(H2,21,22,23,26,28)