[2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate

Systemtic Name: [2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate Openeye Name: [4-[2-(allyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-[(2-amino-6-iodo-purin-9-yl)methyl]butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-iodo-9-purinyl)methyl]-4-[3-methyl-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]butoxy]butyl] ester IUPAC Name: [2-[(2-amino-6-iodopurin-9-yl)methyl]-4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxybutyl] octadecanoate Traditional Name: stearic acid [4-[2-(allyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-[(2-amino-6-iodo-purin-9-yl)methyl]butyl] ester Formula: C37H61IN6O6 MolecularWeight: 812.82131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC=C)CN1C=NC2=C1N=C(N=C2I)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC=C)CN1C=NC2=C1N=C(N=C2I)N

InChI

InChI=1S/C37H61IN6O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(45)50-26-29(25-44-27-40-32-33(38)42-36(39)43-34(32)44)22-24-48-35(46)31(28(3)4)41-37(47)49-23-6-2/h6,27-29,31H,2,5,7-26H2,1,3-4H3,(H,41,47)(H2,39,42,43)