(2S)-2-(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: (2S)-2-(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoate Openeye Name: (2S)-2-(4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylpropanoate CAS Name: (2S)-2-[(4-oxido-6-phenyl-2-pyrimidinyl)thio]propanoate IUPAC Name: (2S)-2-(4-oxido-6-phenylpyrimidin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-oxido-6-phenyl-pyrimidin-2-yl)thio]propionate Formula: C13H10N2O3S-2 MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3S/c1-8(12(17)18)19-13-14-10(7-11(16)15-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,14,15,16)/p-2/t8-/m0/s1