ethyl 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCSC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCCSC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O2S/c1-2-30-24(29)18-12-4-3-5-13-19-31-26-27-20-23(21-14-8-6-9-15-21)25(28-26)22-16-10-7-11-17-22/h6-11,14-17,20H,2-5,12-13,18-19H2,1H3