1-(6-chloranyl-2-iodanyl-purin-9-yl)ethyl ethanoate

Systemtic Name: 1-(6-chloranyl-2-iodanyl-purin-9-yl)ethyl ethanoate Openeye Name: 1-(6-chloro-2-iodo-purin-9-yl)ethyl acetate CAS Name: acetic acid 1-(6-chloro-2-iodo-9-purinyl)ethyl ester IUPAC Name: 1-(6-chloro-2-iodopurin-9-yl)ethyl acetate Traditional Name: acetic acid 1-(6-chloro-2-iodo-purin-9-yl)ethyl ester Formula: C9H8ClIN4O2 MolecularWeight: 366.54289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClIN4O2/c1-4(17-5(2)16)15-3-12-6-7(10)13-9(11)14-8(6)15/h3-4H,1-2H3