3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoate Openeye Name: 3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanoate IUPAC Name: 3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionate Formula: C14H13N2O2S- MolecularWeight: 273.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O2S/c1-10-15-12(11-5-3-2-4-6-11)9-13(16-10)19-8-7-14(17)18/h2-6,9H,7-8H2,1H3,(H,17,18)/p-1