[(2,6-diazidopurin-9-yl)-(3-oxidanylpropoxy)methyl] octadecanoate

Systemtic Name: [(2,6-diazidopurin-9-yl)-(3-oxidanylpropoxy)methyl] octadecanoate Openeye Name: [(2,6-diazidopurin-9-yl)-(3-hydroxypropoxy)methyl] octadecanoate CAS Name: octadecanoic acid [(2,6-diazido-9-purinyl)-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2,6-diazidopurin-9-yl)-(3-hydroxypropoxy)methyl] octadecanoate Traditional Name: stearic acid [(2,6-diazidopurin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C27H44N10O4 MolecularWeight: 572.70286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(N1C=NC2=C(N=C(N=C21)N=[N+]=[N-])N=[N+]=[N-])OCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(N1C=NC2=C(N=C(N=C21)N=[N+]=[N-])N=[N+]=[N-])OCCCO

InChI

InChI=1S/C27H44N10O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(39)41-27(40-20-17-19-38)37-21-30-23-24(33-35-28)31-26(34-36-29)32-25(23)37/h21,27,38H,2-20H2,1H3