[2-azanyl-3-oxidanyl-6-oxidanylidene-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] octanoate

Systemtic Name: [2-azanyl-3-oxidanyl-6-oxidanylidene-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] octanoate Openeye Name: [2-amino-3-hydroxy-6-oxo-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] octanoate CAS Name: octanoic acid [2-amino-3-hydroxy-6-oxo-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] ester IUPAC Name: [2-amino-3-hydroxy-6-oxo-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] octanoate Traditional Name: caprylic acid [2-amino-3-hydroxy-6-keto-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] ester Formula: C17H31N5O5 MolecularWeight: 385.45854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)ON1CNC2=C1N(C(NC2=O)(COCCC)N)O

Isomeric SMILES

CCCCCCCC(=O)ON1CNC2=C1N(C(NC2=O)(COCCC)N)O

InChI

InChI=1S/C17H31N5O5/c1-3-5-6-7-8-9-13(23)27-21-12-19-14-15(24)20-17(18,11-26-10-4-2)22(25)16(14)21/h19,25H,3-12,18H2,1-2H3,(H,20,24)