2-[4-chloranyl-6-[(4-chloranyl-2,3-dimethyl-phenyl)amino]pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(4-chloranyl-2,3-dimethyl-phenyl)amino]pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 2-[4-chloro-6-(4-chloro-2,3-dimethyl-anilino)pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 2-[[4-chloro-6-(4-chloro-2,3-dimethylanilino)-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 2-[4-chloro-6-(4-chloro-2,3-dimethylanilino)pyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 2-[[4-chloro-6-(4-chloro-2,3-dimethyl-anilino)pyrimidin-2-yl]thio]butyric acid Formula: C16H17Cl2N3O2S MolecularWeight: 386.29608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=C(C(=C(C=C2)Cl)C)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=C(C(=C(C=C2)Cl)C)C

InChI

InChI=1S/C16H17Cl2N3O2S/c1-4-12(15(22)23)24-16-20-13(18)7-14(21-16)19-11-6-5-10(17)8(2)9(11)3/h5-7,12H,4H2,1-3H3,(H,22,23)(H,19,20,21)