(2S)-2-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: (2S)-2-[(5-benzyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[[4-oxo-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: (2S)-2-[(5-benzyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(5-benzyl-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=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)/t13-/m0/s1