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

Systemtic Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanyl-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-(methylthio)-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanyl-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(methylthio)pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C18H21FN2O3S2 MolecularWeight: 396.499343

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O3S2/c1-18(2,3)24-15(22)10-21-9-14(25-4)16(23)20-17(21)26-11-12-5-7-13(19)8-6-12/h5-9H,10-11H2,1-4H3