tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-(2-hydroxyethyl)-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-5-(2-hydroxyethyl)-4-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CCO

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CCO

InChI

InChI=1S/C19H23FN2O4S/c1-19(2,3)26-16(24)11-22-10-14(8-9-23)17(25)21-18(22)27-12-13-4-6-15(20)7-5-13/h4-7,10,23H,8-9,11-12H2,1-3H3