methyl 2-(6-chloranyl-2-fluoranyl-purin-9-yl)ethanoate

Systemtic Name: methyl 2-(6-chloranyl-2-fluoranyl-purin-9-yl)ethanoate Openeye Name: methyl 2-(6-chloro-2-fluoro-purin-9-yl)acetate CAS Name: 2-(6-chloro-2-fluoro-9-purinyl)acetic acid methyl ester IUPAC Name: methyl 2-(6-chloro-2-fluoropurin-9-yl)acetate Traditional Name: 2-(6-chloro-2-fluoro-purin-9-yl)acetic acid methyl ester Formula: C8H6ClFN4O2 MolecularWeight: 244.610243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=NC2=C1N=C(N=C2Cl)F

Isomeric SMILES

COC(=O)CN1C=NC2=C1N=C(N=C2Cl)F

InChI

InChI=1S/C8H6ClFN4O2/c1-16-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3H,2H2,1H3