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

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] dodecanoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] dodecanoate CAS Name: dodecanoic 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] dodecanoate Traditional Name: lauric acid [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C22H39N5O4 MolecularWeight: 437.57616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N5O4/c1-2-3-4-5-6-7-8-9-10-11-18(29)31-13-12-17(15-28)14-27-16-24-19-20(27)25-22(23)26-21(19)30/h17,24,28H,2-16H2,1H3,(H3,23,25,26,30)