6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoic acid

Systemtic Name: 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoic acid Openeye Name: 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 6-[(4,5-diphenyl-2-pyrimidinyl)thio]hexanoic acid IUPAC Name: 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoic acid Traditional Name: 6-[(4,5-diphenylpyrimidin-2-yl)thio]hexanoic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCCCC(=O)O

InChI

InChI=1S/C22H22N2O2S/c25-20(26)14-8-3-9-15-27-22-23-16-19(17-10-4-1-5-11-17)21(24-22)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,25,26)