(2S)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoic acid Openeye Name: (2S)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoic acid CAS Name: (2S)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanoic acid IUPAC Name: (2S)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CC(=N1)S[C@@H](C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O2S/c1-9(14(17)18)19-13-8-12(15-10(2)16-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,18)/t9-/m0/s1