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

Systemtic Name: [2-azanyl-3-oxidanyl-6-oxidanylidene-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] icosanoate Openeye Name: [2-amino-3-hydroxy-6-oxo-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] icosanoate CAS Name: eicosanoic 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] icosanoate Traditional Name: arachidic acid [2-amino-3-hydroxy-6-keto-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] ester Formula: C29H55N5O5 MolecularWeight: 553.7775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H55N5O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(35)39-33-24-31-26-27(36)32-29(30,23-38-22-4-2)34(37)28(26)33/h31,37H,3-24,30H2,1-2H3,(H,32,36)