2-[(4-bromophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(4-bromophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(4-bromobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C12H10BrN2OS- MolecularWeight: 310.1896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15,16)/p-1