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

Systemtic Name: 4-chloranyl-2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-ethyl-butanoic acid Openeye Name: 4-chloro-2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-ethyl-butanoic acid CAS Name: 4-chloro-2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-2-ethylbutanoic acid IUPAC Name: 4-chloro-2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-ethylbutanoic acid Traditional Name: 4-chloro-2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-2-ethyl-butyric acid Formula: C18H21Cl2N3O2S MolecularWeight: 414.34924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O2S/c1-4-18(8-9-19,16(24)25)26-17-22-14(20)10-15(23-17)21-13-7-5-6-11(2)12(13)3/h5-7,10H,4,8-9H2,1-3H3,(H,24,25)(H,21,22,23)