2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-propyl-pentanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-propyl-pentanoic acid Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-propyl-pentanoic acid CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-2-propylpentanoic acid IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-propylpentanoic acid Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-2-propyl-valeric acid Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCC(CCC)(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C20H26ClN3O2S/c1-5-10-20(11-6-2,18(25)26)27-19-23-16(21)12-17(24-19)22-15-9-7-8-13(3)14(15)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,25,26)(H,22,23,24)