2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-naphthalen-1-yl-ethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-naphthalen-1-yl-ethanoic acid Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-(1-naphthyl)acetic acid CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-2-(1-naphthalenyl)acetic acid IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-naphthalen-1-ylacetic acid Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-2-(1-naphthyl)acetic acid Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SC(C3=CC=CC4=CC=CC=C43)C(=O)O)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SC(C3=CC=CC4=CC=CC=C43)C(=O)O)Cl)C

InChI

InChI=1S/C24H20ClN3O2S/c1-14-7-5-12-19(15(14)2)26-21-13-20(25)27-24(28-21)31-22(23(29)30)18-11-6-9-16-8-3-4-10-17(16)18/h3-13,22H,1-2H3,(H,29,30)(H,26,27,28)