2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(phenylmethyl)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(phenylmethyl)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(phenylmethyl)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-benzyl-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)CC(=O)O

InChI

InChI=1S/C20H17FN2O3S/c21-17-8-6-15(7-9-17)13-27-20-22-19(26)16(11-23(20)12-18(24)25)10-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,24,25)