2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-methyl-butanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-methyl-butanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-2-methyl-butanoic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-2-methylbutanoic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-2-methylbutanoic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-2-methyl-butyric acid Formula: C17H19BrClN3O2S MolecularWeight: 444.77366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrClN3O2S/c1-5-17(4,15(23)24)25-16-21-13(19)8-14(22-16)20-12-7-6-11(18)9(2)10(12)3/h6-8H,5H2,1-4H3,(H,23,24)(H,20,21,22)