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

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-2-methyl-propionic acid Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(10(9)2)18-13-8-12(17)19-15(20-13)23-16(3,4)14(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20)