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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl (9E,12E)-octadeca-9,12-dienoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]propyl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C27H44IN5O4 MolecularWeight: 629.57383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

InChI

InChI=1S/C27H44IN5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(34)36-19-17-20-37-26(28)33-21-30-23-24(33)31-27(29)32-25(23)35/h6-7,9-10,26,30H,2-5,8,11-21H2,1H3,(H3,29,31,32,35)/b7-6+,10-9+