methyl 2-[3,4-diacetyloxy-5-(6-chloranyl-2-iodanyl-purin-9-yl)oxolan-2-yl]ethanoate

Systemtic Name: methyl 2-[3,4-diacetyloxy-5-(6-chloranyl-2-iodanyl-purin-9-yl)oxolan-2-yl]ethanoate Openeye Name: methyl 2-[3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]acetate CAS Name: 2-[3,4-diacetyloxy-5-(6-chloro-2-iodo-9-purinyl)-2-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]acetate Traditional Name: 2-[3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]acetic acid methyl ester Formula: C16H16ClIN4O7 MolecularWeight: 538.67831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)I)CC(=O)OC

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)I)CC(=O)OC

InChI

InChI=1S/C16H16ClIN4O7/c1-6(23)27-11-8(4-9(25)26-3)29-15(12(11)28-7(2)24)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,8,11-12,15H,4H2,1-3H3