[4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] decanoate

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] decanoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] decanoate CAS Name: decanoic acid [4-(2-amino-3-methyl-1-oxobutoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylbutanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] decanoate Traditional Name: capric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-butanoyl)oxy-butyl] ester Formula: C25H42N6O5 MolecularWeight: 506.63818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C25H42N6O5/c1-4-5-6-7-8-9-10-11-19(32)36-15-18(12-13-35-24(34)20(26)17(2)3)14-31-16-28-21-22(31)29-25(27)30-23(21)33/h16-18,20H,4-15,26H2,1-3H3,(H3,27,29,30,33)