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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] octadecanoate Openeye Name: [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxybutyl] ester IUPAC Name: [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxybutyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C28H51N5O4 MolecularWeight: 521.73564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCO)CN1CNC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCO)CN1CNC2=C1NC(=NC2=O)N

InChI

InChI=1S/C28H51N5O4/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/h23,30,34H,2-22H2,1H3,(H3,29,31,32,36)