2-[2-(3-bromanylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(3-bromophenoxy)ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[2-(3-bromophenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C13H12BrN2O2S- MolecularWeight: 340.21558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCOC2=CC(=CC=C2)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCOC2=CC(=CC=C2)Br)[O-]

InChI

InChI=1S/C13H13BrN2O2S/c1-9-7-12(17)16-13(15-9)19-6-5-18-11-4-2-3-10(14)8-11/h2-4,7-8H,5-6H2,1H3,(H,15,16,17)/p-1