3-(6-phenylpyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(6-phenylpyrimidin-4-yl)sulfanylpropanoate Openeye Name: 3-(6-phenylpyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(6-phenyl-4-pyrimidinyl)thio]propanoate IUPAC Name: 3-(6-phenylpyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-phenylpyrimidin-4-yl)thio]propionate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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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)/p-1