[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2-chloro-5-methylsulfanyl-phenyl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[2-chloro-5-(methylthio)phenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[2-chloro-5-(methylthio)phenyl]methanone Formula: C16H16BrClN4OS MolecularWeight: 427.74644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C16H16BrClN4OS/c1-24-12-2-3-14(18)13(8-12)15(23)21-4-6-22(7-5-21)16-19-9-11(17)10-20-16/h2-3,8-10H,4-7H2,1H3