[3-(2-azanylpurin-9-yl)oxy-4-butanoyloxy-butyl] butanoate

Systemtic Name: [3-(2-azanylpurin-9-yl)oxy-4-butanoyloxy-butyl] butanoate Openeye Name: [3-(2-aminopurin-9-yl)oxy-4-butanoyloxy-butyl] butanoate CAS Name: butanoic acid [3-[(2-amino-9-purinyl)oxy]-4-(1-oxobutoxy)butyl] ester IUPAC Name: [3-(2-aminopurin-9-yl)oxy-4-butanoyloxybutyl] butanoate Traditional Name: butyric acid [3-(2-aminopurin-9-yl)oxy-4-butyryloxy-butyl] ester Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC(COC(=O)CCC)ON1C=NC2=CN=C(N=C21)N

Isomeric SMILES

CCCC(=O)OCCC(COC(=O)CCC)ON1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C17H25N5O5/c1-3-5-14(23)25-8-7-12(10-26-15(24)6-4-2)27-22-11-20-13-9-19-17(18)21-16(13)22/h9,11-12H,3-8,10H2,1-2H3,(H2,18,19,21)