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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCC

InChI

InChI=1S/C25H43N5O6/c1-3-5-7-9-11-14-19(31)34-16-13-17-35-25(36-20(32)15-12-10-8-6-4-2)30-18-27-21-22(30)28-24(26)29-23(21)33/h25,27H,3-18H2,1-2H3,(H3,26,28,29,33)