[5-(2-azanyl-3-methyl-butanoyl)oxy-2-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)pentyl] octadecanoate

Systemtic Name: [5-(2-azanyl-3-methyl-butanoyl)oxy-2-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)pentyl] octadecanoate Openeye Name: [5-(2-amino-3-methyl-butanoyl)oxy-2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)pentyl] octadecanoate CAS Name: octadecanoic acid [5-(2-amino-3-methyl-1-oxobutoxy)-2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)pentyl] ester IUPAC Name: [5-(2-amino-3-methylbutanoyl)oxy-2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)pentyl] octadecanoate Traditional Name: stearic acid [2-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-5-(2-amino-3-methyl-butanoyl)oxy-pentyl] ester Formula: C33H60N6O5 MolecularWeight: 620.8667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCCOC(=O)C(C(C)C)N)N1CNC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCCOC(=O)C(C(C)C)N)N1CNC2=C1NC(=NC2=O)N

InChI

InChI=1S/C33H60N6O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(40)44-23-26(20-19-22-43-32(42)28(34)25(2)3)39-24-36-29-30(39)37-33(35)38-31(29)41/h25-26,28,36H,4-24,34H2,1-3H3,(H3,35,37,38,41)