3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-[(E)-hexadec-9-enoyl]oxy-methoxy]propyl (E)-hexadec-9-enoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-[(E)-hexadec-9-enoyl]oxy-methoxy]propyl (E)-hexadec-9-enoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[(E)-hexadec-9-enoyl]oxy-methoxy]propyl (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[(E)-1-oxohexadec-9-enoxy]methoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[(E)-hexadec-9-enoyl]oxymethoxy]propyl (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-[(E)-hexadec-9-enoyl]oxy-methoxy]propyl ester Formula: C41H71N5O6 MolecularWeight: 730.03234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C41H71N5O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-35(47)50-32-29-33-51-41(46-34-43-37-38(46)44-40(42)45-39(37)49)52-36(48)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,41,43H,3-12,17-34H2,1-2H3,(H3,42,44,45,49)/b15-13+,16-14+