ethyl 2-[6-[(5-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-2-oxidanylidene-3H-purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-[(5-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-2-oxidanylidene-3H-purin-9-yl]ethanoate Openeye Name: ethyl 2-[6-[(5-chloro-2-fluoro-phenyl)methylsulfanyl]-2-oxo-3H-purin-9-yl]acetate CAS Name: 2-[6-[(5-chloro-2-fluorophenyl)methylthio]-2-oxo-3H-purin-9-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(5-chloro-2-fluorophenyl)methylsulfanyl]-2-oxo-3H-purin-9-yl]acetate Traditional Name: 2-[6-[(5-chloro-2-fluoro-benzyl)thio]-2-keto-3H-purin-9-yl]acetic acid ethyl ester Formula: C16H14ClFN4O3S MolecularWeight: 396.823763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C16H14ClFN4O3S/c1-2-25-12(23)6-22-8-19-13-14(22)20-16(24)21-15(13)26-7-9-5-10(17)3-4-11(9)18/h3-5,8H,2,6-7H2,1H3,(H,20,21,24)