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

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] dodecanoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] dodecanoate CAS Name: dodecanoic 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] dodecanoate Traditional Name: lauric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-pentanoyl)oxy-butyl] ester Formula: C28H48N6O5 MolecularWeight: 548.71792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N6O5/c1-4-6-7-8-9-10-11-12-13-14-22(35)39-18-21(15-16-38-27(37)23(29)20(3)5-2)17-34-19-31-24-25(34)32-28(30)33-26(24)36/h19-21,23H,4-18,29H2,1-3H3,(H3,30,32,33,36)