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

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-4-chloranyl-2-ethyl-butanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-4-chloro-2-ethyl-butanoic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-4-chloro-2-ethylbutanoic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-4-chloro-2-ethylbutanoic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-4-chloro-2-ethyl-butyric acid Formula: C18H20BrCl2N3O2S MolecularWeight: 493.2453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrCl2N3O2S/c1-4-18(7-8-20,16(25)26)27-17-23-14(21)9-15(24-17)22-13-6-5-12(19)10(2)11(13)3/h5-6,9H,4,7-8H2,1-3H3,(H,25,26)(H,22,23,24)