[2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-chloranyl-propyl] ethanoate

Systemtic Name: [2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-chloranyl-propyl] ethanoate Openeye Name: [2-[2-acetoxy-1-(6-aminopurin-9-yl)ethoxy]-3-chloro-propyl] acetate CAS Name: acetic acid [2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-chloropropyl] ester IUPAC Name: [2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-chloropropyl] acetate Traditional Name: acetic acid [2-(2-acetoxy-1-adenin-9-yl-ethoxy)-3-chloro-propyl] ester Formula: C14H18ClN5O5 MolecularWeight: 371.77622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCl)OC(COC(=O)C)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(=O)OCC(CCl)OC(COC(=O)C)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C14H18ClN5O5/c1-8(21)23-4-10(3-15)25-11(5-24-9(2)22)20-7-19-12-13(16)17-6-18-14(12)20/h6-7,10-11H,3-5H2,1-2H3,(H2,16,17,18)