tert-butyl 2-[5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: tert-butyl 2-[5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[5-ethyl-2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[5-ethyl-2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid tert-butyl ester Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H23FN2O3S/c1-5-14-15(10-16(23)25-19(2,3)4)21-18(22-17(14)24)26-11-12-6-8-13(20)9-7-12/h6-9H,5,10-11H2,1-4H3,(H,21,22,24)