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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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