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

Systemtic Name: (2S)-2-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: (2S)-2-[(5-benzyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid CAS Name: (2S)-2-[[4-oxo-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: (2S)-2-[(5-benzyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Traditional Name: (2S)-2-[(5-benzyl-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]hexanoic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-2-3-14-19(22(27)28)29-23-24-20(17-12-8-5-9-13-17)18(21(26)25-23)15-16-10-6-4-7-11-16/h4-13,19H,2-3,14-15H2,1H3,(H,27,28)(H,24,25,26)/t19-/m0/s1