(2S)-2-[4-oxidanidyl-6-phenyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: (2S)-2-[4-oxidanidyl-6-phenyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: (2S)-2-(5-benzyl-4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylpropanoate CAS Name: (2S)-2-[[4-oxido-6-phenyl-5-(phenylmethyl)-2-pyrimidinyl]thio]propanoate IUPAC Name: (2S)-2-(5-benzyl-4-oxido-6-phenylpyrimidin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(5-benzyl-4-oxido-6-phenyl-pyrimidin-2-yl)thio]propionate Formula: C20H16N2O3S-2 MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=C(C(=N1)[O-])CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=C(C(=N1)[O-])CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-13(19(24)25)26-20-21-17(15-10-6-3-7-11-15)16(18(23)22-20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,24,25)(H,21,22,23)/p-2/t13-/m0/s1