3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoic acid Openeye Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoic acid CAS Name: 3-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]benzoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoic acid Traditional Name: 3-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]benzoic acid Formula: C23H17FN4O3S MolecularWeight: 448.469483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)C(=O)O

InChI

InChI=1S/C23H17FN4O3S/c24-19-6-4-15(5-7-19)13-32-23-27-21(29)18(8-16-10-25-14-26-11-16)12-28(23)20-3-1-2-17(9-20)22(30)31/h1-7,9-12,14H,8,13H2,(H,30,31)