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

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-methyl-pentanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-2-methyl-pentanoic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-2-methylpentanoic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-2-methylpentanoic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-2-methyl-valeric acid Formula: C18H21BrClN3O2S MolecularWeight: 458.80024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrClN3O2S/c1-5-8-18(4,16(24)25)26-17-22-14(20)9-15(23-17)21-13-7-6-12(19)10(2)11(13)3/h6-7,9H,5,8H2,1-4H3,(H,24,25)(H,21,22,23)