2-[5-ethanoyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-ethanoyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-acetyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-acetyl-4-(4-fluorophenyl)-6-methyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-acetyl-4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-acetyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]thio]acetic acid Formula: C15H13FN2O3S MolecularWeight: 320.338723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)F)SCC(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)F)SCC(=O)O

InChI

InChI=1S/C15H13FN2O3S/c1-8-13(9(2)19)14(10-3-5-11(16)6-4-10)18-15(17-8)22-7-12(20)21/h3-6H,7H2,1-2H3,(H,20,21)