8-(4,5-diphenylpyrimidin-2-yl)sulfanyl-2,2-dimethyl-octanoic acid

Systemtic Name: 8-(4,5-diphenylpyrimidin-2-yl)sulfanyl-2,2-dimethyl-octanoic acid Openeye Name: 8-(4,5-diphenylpyrimidin-2-yl)sulfanyl-2,2-dimethyl-octanoic acid CAS Name: 8-[(4,5-diphenyl-2-pyrimidinyl)thio]-2,2-dimethyloctanoic acid IUPAC Name: 8-(4,5-diphenylpyrimidin-2-yl)sulfanyl-2,2-dimethyloctanoic acid Traditional Name: 8-[(4,5-diphenylpyrimidin-2-yl)thio]-2,2-dimethyl-caprylic acid Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCCSC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(CCCCCCSC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H30N2O2S/c1-26(2,24(29)30)17-11-3-4-12-18-31-25-27-19-22(20-13-7-5-8-14-20)23(28-25)21-15-9-6-10-16-21/h5-10,13-16,19H,3-4,11-12,17-18H2,1-2H3,(H,29,30)