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

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-ethyl-pentanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-2-ethyl-pentanoic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-2-ethylpentanoic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-2-ethylpentanoic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-2-ethyl-valeric acid Formula: C19H23BrClN3O2S MolecularWeight: 472.82682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrClN3O2S/c1-5-9-19(6-2,17(25)26)27-18-23-15(21)10-16(24-18)22-14-8-7-13(20)11(3)12(14)4/h7-8,10H,5-6,9H2,1-4H3,(H,25,26)(H,22,23,24)