[4-acetyloxy-5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-ethyl-oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-ethyl-oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(6-chloro-2-iodo-purin-9-yl)-2-ethyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(6-chloro-2-iodo-9-purinyl)-2-ethyl-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(6-chloro-2-iodopurin-9-yl)-2-ethyloxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(6-chloro-2-iodo-purin-9-yl)-2-ethyl-tetrahydrofuran-3-yl] ester Formula: C15H16ClIN4O5 MolecularWeight: 494.66881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C

Isomeric SMILES

CCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H16ClIN4O5/c1-4-8-10(24-6(2)22)11(25-7(3)23)14(26-8)21-5-18-9-12(16)19-15(17)20-13(9)21/h5,8,10-11,14H,4H2,1-3H3