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

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]butanoic acid IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoic acid Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]butyric acid Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O3S/c21-17-5-3-14(4-6-17)12-29-20-24-19(28)16(8-15-9-22-13-23-10-15)11-25(20)7-1-2-18(26)27/h3-6,9-11,13H,1-2,7-8,12H2,(H,26,27)