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

Systemtic Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(phenylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(phenylmethyl)-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[5-benzyl-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C24H25FN2O3S MolecularWeight: 440.530303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C24H25FN2O3S/c1-24(2,3)30-21(28)15-27-14-19(13-17-7-5-4-6-8-17)22(29)26-23(27)31-16-18-9-11-20(25)12-10-18/h4-12,14H,13,15-16H2,1-3H3