(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid Openeye Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid CAS Name: (2S)-2-[(6-phenyl-4-pyrimidinyl)thio]propanoic acid IUPAC Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(6-phenylpyrimidin-4-yl)thio]propionic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=NC(=C1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC=NC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O2S/c1-9(13(16)17)18-12-7-11(14-8-15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)/t9-/m0/s1