2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanylbutanoic acid Openeye Name: 2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]sulfanylbutanoic acid CAS Name: 2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]phenyl]thio]butanoic acid IUPAC Name: 2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]phenyl]sulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]thio]butyric acid Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CC(=O)NC2=CC=C(C=C2)SC(CC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CC(=O)NC2=CC=C(C=C2)SC(CC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-3-20(24(30)31)32-18-12-10-17(11-13-18)25-22(28)15-27-21(4-2)26-19(14-23(27)29)16-8-6-5-7-9-16/h5-14,20H,3-4,15H2,1-2H3,(H,25,28)(H,30,31)