2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C13H12BrN2O2S- MolecularWeight: 340.21558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)OC)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)OC)Br)[O-]

InChI

InChI=1S/C13H13BrN2O2S/c1-8-5-12(17)16-13(15-8)19-7-9-3-4-11(18-2)10(14)6-9/h3-6H,7H2,1-2H3,(H,15,16,17)/p-1