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3-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid

3-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid

Systemtic Name:3-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid
Openeye Name:3-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid
CAS Name:3-[(6-phenyl-4-pyrimidinyl)thio]propanoic acid
IUPAC Name:3-(6-phenylpyrimidin-4-yl)sulfanylpropanoic acid
Traditional Name:3-[(6-phenylpyrimidin-4-yl)thio]propionic acid
Formula: C13H12N2O2S
MolecularWeight: 260.31158
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H12N2O2S/c16-13(17)6-7-18-12-8-11(14-9-15-12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)


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