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

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-2-methyl-propionic acid Formula: C16H17BrClN3O2S MolecularWeight: 430.74708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC2=CC(=NC(=N2)SC(C)(C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC2=CC(=NC(=N2)SC(C)(C)C(=O)O)Cl

InChI

InChI=1S/C16H17BrClN3O2S/c1-8-9(2)11(6-5-10(8)17)19-13-7-12(18)20-15(21-13)24-16(3,4)14(22)23/h5-7H,1-4H3,(H,22,23)(H,19,20,21)