ethyl 2-[6-[(2-fluorophenyl)methylsulfanyl]-2-oxidanylidene-3H-purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-[(2-fluorophenyl)methylsulfanyl]-2-oxidanylidene-3H-purin-9-yl]ethanoate Openeye Name: ethyl 2-[6-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-purin-9-yl]acetate CAS Name: 2-[6-[(2-fluorophenyl)methylthio]-2-oxo-3H-purin-9-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-purin-9-yl]acetate Traditional Name: 2-[6-[(2-fluorobenzyl)thio]-2-keto-3H-purin-9-yl]acetic acid ethyl ester Formula: C16H15FN4O3S MolecularWeight: 362.378703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=CC=CC=C3F

InChI

InChI=1S/C16H15FN4O3S/c1-2-24-12(22)7-21-9-18-13-14(21)19-16(23)20-15(13)25-8-10-5-3-4-6-11(10)17/h3-6,9H,2,7-8H2,1H3,(H,19,20,23)