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

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] dodecanoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] dodecanoate CAS Name: dodecanoic 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] dodecanoate Traditional Name: lauric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-butanoyl)oxy-butyl] ester Formula: C27H46N6O5 MolecularWeight: 534.69134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N6O5/c1-4-5-6-7-8-9-10-11-12-13-21(34)38-17-20(14-15-37-26(36)22(28)19(2)3)16-33-18-30-23-24(33)31-27(29)32-25(23)35/h18-20,22H,4-17,28H2,1-3H3,(H3,29,31,32,35)