[3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] 5-oxidanylidenehexanoate

Systemtic Name: [3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] 5-oxidanylidenehexanoate Openeye Name: [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid [3-[(2-amino-3-methyl-1-oxobutoxy)methyl]-4-(2-amino-9-purinyl)butyl] ester IUPAC Name: [3-[(2-amino-3-methylbutanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] ester Formula: C21H32N6O5 MolecularWeight: 448.51598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O5/c1-13(2)18(22)20(30)32-11-15(7-8-31-17(29)6-4-5-14(3)28)10-27-12-25-16-9-24-21(23)26-19(16)27/h9,12-13,15,18H,4-8,10-11,22H2,1-3H3,(H2,23,24,26)