3-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(4,6-diphenyl-2-pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4,6-diphenylpyrimidin-2-yl)thio]propionic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O2S/c22-18(23)11-12-24-19-20-16(14-7-3-1-4-8-14)13-17(21-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,22,23)