(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoate Openeye Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoate CAS Name: (2S)-2-[(6-phenyl-4-pyrimidinyl)thio]propanoate IUPAC Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(6-phenylpyrimidin-4-yl)thio]propionate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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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)/p-1/t9-/m0/s1