[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (9E,12E)-octadeca-9,12-dienoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C27H45N5O5 MolecularWeight: 519.6767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

InChI

InChI=1S/C27H45N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(34)37-27(36-20-17-19-33)32-21-29-23-24(32)30-26(28)31-25(23)35/h6-7,9-10,27,29,33H,2-5,8,11-21H2,1H3,(H3,28,30,31,35)/b7-6+,10-9+