2-[4-chloranyl-6-[(4-phenylphenyl)amino]pyrimidin-2-yl]sulfanyloctanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(4-phenylphenyl)amino]pyrimidin-2-yl]sulfanyloctanoic acid Openeye Name: 2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanyloctanoic acid CAS Name: 2-[[4-chloro-6-(4-phenylanilino)-2-pyrimidinyl]thio]octanoic acid IUPAC Name: 2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanyloctanoic acid Traditional Name: 2-[[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]thio]caprylic acid Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H26ClN3O2S/c1-2-3-4-8-11-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)