4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]butanoic acid

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]butanoic acid Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-4-oxo-pyrimidin-1-yl]butanoic acid CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-oxo-1-pyrimidinyl]butanoic acid IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-4-oxopyrimidin-1-yl]butanoic acid Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(2-keto-1-methyl-4-pyridyl)methyl]pyrimidin-1-yl]butyric acid Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)CCCC(=O)O

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)CCCC(=O)O

InChI

InChI=1S/C22H22FN3O4S/c1-25-10-8-16(12-19(25)27)11-17-13-26(9-2-3-20(28)29)22(24-21(17)30)31-14-15-4-6-18(23)7-5-15/h4-8,10,12-13H,2-3,9,11,14H2,1H3,(H,28,29)