[2-[2-(2-azanylpurin-9-yl)ethyl]-4-oxidanylidene-pentyl] ethanoate

Systemtic Name: [2-[2-(2-azanylpurin-9-yl)ethyl]-4-oxidanylidene-pentyl] ethanoate Openeye Name: [2-[2-(2-aminopurin-9-yl)ethyl]-4-oxo-pentyl] acetate CAS Name: acetic acid [2-[2-(2-amino-9-purinyl)ethyl]-4-oxopentyl] ester IUPAC Name: [2-[2-(2-aminopurin-9-yl)ethyl]-4-oxopentyl] acetate Traditional Name: acetic acid [2-[2-(2-aminopurin-9-yl)ethyl]-4-keto-pentyl] ester Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C

Isomeric SMILES

CC(=O)CC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C

InChI

InChI=1S/C14H19N5O3/c1-9(20)5-11(7-22-10(2)21)3-4-19-8-17-12-6-16-14(15)18-13(12)19/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16,18)