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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl (E)-dodec-9-enoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl (E)-dodec-9-enoate CAS Name: (E)-9-dodecenoic 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 (E)-dodec-9-enoate Traditional Name: (E)-dodec-9-enoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C21H34IN5O4 MolecularWeight: 547.43023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34IN5O4/c1-2-3-4-5-6-7-8-9-10-12-16(28)30-13-11-14-31-20(22)27-15-24-17-18(27)25-21(23)26-19(17)29/h3-4,20,24H,2,5-15H2,1H3,(H3,23,25,26,29)/b4-3+