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

Systemtic Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-methyl-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-methyl-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)OC(C)(C)C

InChI

InChI=1S/C18H21FN2O3S/c1-12-9-21(10-15(22)24-18(2,3)4)17(20-16(12)23)25-11-13-5-7-14(19)8-6-13/h5-9H,10-11H2,1-4H3