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

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (E)-dodec-9-enoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (E)-dodec-9-enoate CAS Name: (E)-9-dodecenoic 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] (E)-dodec-9-enoate Traditional Name: (E)-dodec-9-enoic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C21H35N5O5 MolecularWeight: 437.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O5/c1-2-3-4-5-6-7-8-9-10-12-16(28)31-21(30-14-11-13-27)26-15-23-17-18(26)24-20(22)25-19(17)29/h3-4,21,23,27H,2,5-15H2,1H3,(H3,22,24,25,29)/b4-3+