2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-9-7-11(10-5-3-2-4-6-10)15-13(14-9)18-8-12(16)17/h2-7H,8H2,1H3,(H,16,17)