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

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] octanoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] octanoate CAS Name: octanoic 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] octanoate Traditional Name: caprylic acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] ester Formula: C24H40N6O4 MolecularWeight: 476.6122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N6O4/c1-4-6-7-8-9-10-20(31)34-15-18(11-12-33-23(32)21(25)17(3)5-2)14-30-16-28-19-13-27-24(26)29-22(19)30/h13,16-18,21H,4-12,14-15,25H2,1-3H3,(H2,26,27,29)