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

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] octanoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] octanoate CAS Name: octanoic acid [4-(2-amino-3-methyl-1-oxobutoxy)-2-[(2-amino-9-purinyl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylbutanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] octanoate Traditional Name: caprylic acid [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] ester Formula: C23H38N6O4 MolecularWeight: 462.58562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N6O4/c1-4-5-6-7-8-9-19(30)33-14-17(10-11-32-22(31)20(24)16(2)3)13-29-15-27-18-12-26-23(25)28-21(18)29/h12,15-17,20H,4-11,13-14,24H2,1-3H3,(H2,25,26,28)