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

Systemtic Name: [2-azanyl-3-oxidanyl-6-oxidanylidene-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] dodecanoate Openeye Name: [2-amino-3-hydroxy-6-oxo-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] dodecanoate CAS Name: dodecanoic 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] dodecanoate Traditional Name: lauric acid [2-amino-3-hydroxy-6-keto-2-(propoxymethyl)-7,8-dihydro-1H-purin-9-yl] ester Formula: C21H39N5O5 MolecularWeight: 441.56486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39N5O5/c1-3-5-6-7-8-9-10-11-12-13-17(27)31-25-16-23-18-19(28)24-21(22,15-30-14-4-2)26(29)20(18)25/h23,29H,3-16,22H2,1-2H3,(H,24,28)