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

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-propyl-pentanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-2-propyl-pentanoic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-2-propylpentanoic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-2-propylpentanoic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-2-propyl-valeric acid Formula: C20H25BrClN3O2S MolecularWeight: 486.8534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrClN3O2S/c1-5-9-20(10-6-2,18(26)27)28-19-24-16(22)11-17(25-19)23-15-8-7-14(21)12(3)13(15)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,26,27)(H,23,24,25)