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

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-ethyl-pentanoic acid Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-ethyl-pentanoic acid CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-2-ethylpentanoic acid IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-ethylpentanoic acid Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-2-ethyl-valeric acid Formula: C19H24ClN3O2S MolecularWeight: 393.93076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O2S/c1-5-10-19(6-2,17(24)25)26-18-22-15(20)11-16(23-18)21-14-9-7-8-12(3)13(14)4/h7-9,11H,5-6,10H2,1-4H3,(H,24,25)(H,21,22,23)