[3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-2-octanoyloxy-propyl] octanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-2-octanoyloxy-propyl] octanoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-octanoyloxy-propyl] octanoate CAS Name: octanoic acid [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(1-oxooctoxy)propyl] ester IUPAC Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-octanoyloxypropyl] octanoate Traditional Name: caprylic acid [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methoxy]-2-caprylyloxy-propyl] ester Formula: C25H43N5O6 MolecularWeight: 509.63882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COCN1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(COCN1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCC

InChI

InChI=1S/C25H43N5O6/c1-3-5-7-9-11-13-20(31)35-16-19(36-21(32)14-12-10-8-6-4-2)15-34-18-30-17-27-22-23(30)28-25(26)29-24(22)33/h19,27H,3-18H2,1-2H3,(H3,26,28,29,33)