[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanylidene-butyl] octadecanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanylidene-butyl] octadecanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-oxo-butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-oxobutyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-oxobutyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-keto-butyl] ester Formula: C28H47N5O4 MolecularWeight: 517.70388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC=O)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC=O)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C28H47N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(35)37-21-23(18-19-34)20-33-22-30-25-26(33)31-28(29)32-27(25)36/h19,22-23H,2-18,20-21H2,1H3,(H3,29,31,32,36)