2-[4-(2-bromanyl-4-chloranyl-phenoxy)butylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(2-bromanyl-4-chloranyl-phenoxy)butylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-bromo-4-chloro-phenoxy)butylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(2-bromo-4-chlorophenoxy)butylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-bromo-4-chlorophenoxy)butylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-bromo-4-chloro-phenoxy)butylthio]-6-methyl-1H-pyrimidin-4-one Formula: C15H16BrClN2O2S MolecularWeight: 403.72174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCCOC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCCOC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C15H16BrClN2O2S/c1-10-8-14(20)19-15(18-10)22-7-3-2-6-21-13-5-4-11(17)9-12(13)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,20)