2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C14H13ClFN2OS- MolecularWeight: 311.782223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C14H14ClFN2OS/c1-3-9-8(2)17-14(18-13(9)19)20-7-10-11(15)5-4-6-12(10)16/h4-6H,3,7H2,1-2H3,(H,17,18,19)/p-1