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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] docosanoate Openeye Name: [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] docosanoate CAS Name: docosanoic 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] docosanoate Traditional Name: behenic acid [2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C32H59N5O4 MolecularWeight: 577.84196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H59N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(39)41-25-27(22-23-38)24-37-26-34-29-30(37)35-32(33)36-31(29)40/h27,34,38H,2-26H2,1H3,(H3,33,35,36,40)