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

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] decanoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] decanoate CAS Name: decanoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)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-pentanoyl)oxy-butyl] ester Formula: C26H44N6O5 MolecularWeight: 520.66476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N6O5/c1-4-6-7-8-9-10-11-12-20(33)37-16-19(13-14-36-25(35)21(27)18(3)5-2)15-32-17-29-22-23(32)30-26(28)31-24(22)34/h17-19,21H,4-16,27H2,1-3H3,(H3,28,30,31,34)