2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-[(2-fluorophenyl)methylthio]-5,6-dimethyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-[(2-fluorobenzyl)thio]-5,6-dimethyl-pyrimidin-4-yl]thio]acetic acid Formula: C15H15FN2O2S2 MolecularWeight: 338.420203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1SCC(=O)O)SCC2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(N=C(N=C1SCC(=O)O)SCC2=CC=CC=C2F)C

InChI

InChI=1S/C15H15FN2O2S2/c1-9-10(2)17-15(18-14(9)21-8-13(19)20)22-7-11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,19,20)