3-[acetyloxy-(2-azanyl-6-chloranyl-purin-9-yl)methoxy]propyl ethanoate

Systemtic Name: 3-[acetyloxy-(2-azanyl-6-chloranyl-purin-9-yl)methoxy]propyl ethanoate Openeye Name: 3-[acetoxy-(2-amino-6-chloro-purin-9-yl)methoxy]propyl acetate CAS Name: acetic acid 3-[acetyloxy-(2-amino-6-chloro-9-purinyl)methoxy]propyl ester IUPAC Name: 3-[acetyloxy-(2-amino-6-chloropurin-9-yl)methoxy]propyl acetate Traditional Name: acetic acid 3-[acetoxy-(2-amino-6-chloro-purin-9-yl)methoxy]propyl ester Formula: C13H16ClN5O5 MolecularWeight: 357.74964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2Cl)N)OC(=O)C

Isomeric SMILES

CC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2Cl)N)OC(=O)C

InChI

InChI=1S/C13H16ClN5O5/c1-7(20)22-4-3-5-23-13(24-8(2)21)19-6-16-9-10(14)17-12(15)18-11(9)19/h6,13H,3-5H2,1-2H3,(H2,15,17,18)