[3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] hexadecanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] hexadecanoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] hexadecanoate CAS Name: hexadecanoic acid [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxybutyl] ester IUPAC Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxybutyl] hexadecanoate Traditional Name: palmitic acid [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C26H47N5O4 MolecularWeight: 493.68248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(CN1CNC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(CN1CNC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C26H47N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(33)35-17-16-21(19-32)18-31-20-28-23-24(31)29-26(27)30-25(23)34/h21,28,32H,2-20H2,1H3,(H3,27,29,30,34)