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

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] icosanoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] icosanoate CAS Name: eicosanoic 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] icosanoate Traditional Name: arachidic acid [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C30H55N5O4 MolecularWeight: 549.7888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(37)39-21-20-25(23-36)22-35-24-32-27-28(35)33-30(31)34-29(27)38/h25,32,36H,2-24H2,1H3,(H3,31,33,34,38)