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

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

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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)Br)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrClN3O2S/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)