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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2C3=CC=C(C=C3)C(=O)O)CC4=CN=CN=C4)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2C3=CC=C(C=C3)C(=O)O)CC4=CN=CN=C4)F

InChI

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