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

Systemtic Name: 2-(4-methoxy-6-phenyl-pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-methoxy-6-phenyl-pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-methoxy-6-phenyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-methoxy-6-phenylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-methoxy-6-phenyl-pyrimidin-2-yl)thio]acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C13H12N2O3S/c1-18-11-7-10(9-5-3-2-4-6-9)14-13(15-11)19-8-12(16)17/h2-7H,8H2,1H3,(H,16,17)