4-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid

Systemtic Name: 4-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid Openeye Name: 4-[2-[(3,4-difluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid CAS Name: 4-[2-[(3,4-difluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]butanoic acid IUPAC Name: 4-[2-[(3,4-difluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid Traditional Name: 4-[2-[(3,4-difluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]butyric acid Formula: C20H18F2N4O3S MolecularWeight: 432.443726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC(=O)C(=CN2CCCC(=O)O)CC3=CN=CN=C3)F)F

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC(=O)C(=CN2CCCC(=O)O)CC3=CN=CN=C3)F)F

InChI

InChI=1S/C20H18F2N4O3S/c21-16-4-3-13(7-17(16)22)11-30-20-25-19(29)15(6-14-8-23-12-24-9-14)10-26(20)5-1-2-18(27)28/h3-4,7-10,12H,1-2,5-6,11H2,(H,27,28)