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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)41-23-22-27(25-38)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)