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

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] hexanoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] hexanoate CAS Name: hexanoic 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] hexanoate Traditional Name: hexanoic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-butanoyl)oxy-butyl] ester Formula: C21H34N6O5 MolecularWeight: 450.53186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N6O5/c1-4-5-6-7-15(28)32-11-14(8-9-31-20(30)16(22)13(2)3)10-27-12-24-17-18(27)25-21(23)26-19(17)29/h12-14,16H,4-11,22H2,1-3H3,(H3,23,25,26,29)