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

Systemtic Name: [2-azanyl-3-oxidanyl-6-oxidanylidene-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] octadecanoate Openeye Name: [2-amino-3-hydroxy-6-oxo-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic acid [2-amino-3-hydroxy-6-keto-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] ester Formula: C27H51N5O5 MolecularWeight: 525.72434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51N5O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(33)37-31-22-29-24-25(34)30-27(28,21-36-20-4-2)32(35)26(24)31/h29,35H,3-22,28H2,1-2H3,(H,30,34)