[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] dodecanoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] dodecanoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] dodecanoate CAS Name: dodecanoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-9-purinyl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] dodecanoate Traditional Name: lauric acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] ester Formula: C28H48N6O4 MolecularWeight: 532.71852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=CN=C(N=C21)N

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C28H48N6O4/c1-4-6-7-8-9-10-11-12-13-14-24(35)38-19-22(15-16-37-27(36)25(29)21(3)5-2)18-34-20-32-23-17-31-28(30)33-26(23)34/h17,20-22,25H,4-16,18-19,29H2,1-3H3,(H2,30,31,33)