[3-(6-aminopurin-9-yl)-2-oxidanyl-propyl] hexadecanoate

Systemtic Name: [3-(6-aminopurin-9-yl)-2-oxidanyl-propyl] hexadecanoate Openeye Name: [3-(6-aminopurin-9-yl)-2-hydroxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-(6-aminopurin-9-yl)-2-hydroxypropyl] ester IUPAC Name: [3-(6-aminopurin-9-yl)-2-hydroxypropyl] hexadecanoate Traditional Name: palmitic acid (3-adenin-9-yl-2-hydroxy-propyl) ester Formula: C24H41N5O3 MolecularWeight: 447.61404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C24H41N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(31)32-17-20(30)16-29-19-28-22-23(25)26-18-27-24(22)29/h18-20,30H,2-17H2,1H3,(H2,25,26,27)