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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-[(E)-octadec-9-enoyl]oxy-methoxy]propyl (E)-octadec-9-enoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[(E)-octadec-9-enoyl]oxy-methoxy]propyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[(E)-1-oxooctadec-9-enoxy]methoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-[(E)-octadec-9-enoyl]oxymethoxy]propyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-[(E)-octadec-9-enoyl]oxy-methoxy]propyl ester Formula: C45H79N5O6 MolecularWeight: 786.13866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H79N5O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-39(51)54-36-33-37-55-45(50-38-47-41-42(50)48-44(46)49-43(41)53)56-40(52)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,47H,3-16,21-38H2,1-2H3,(H3,46,48,49,53)/b19-17+,20-18+