ethyl 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoate

Systemtic Name: ethyl 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoate Openeye Name: ethyl 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoate CAS Name: 6-[(4,5-diphenyl-2-pyrimidinyl)thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-(4,5-diphenylpyrimidin-2-yl)sulfanylhexanoate Traditional Name: 6-[(4,5-diphenylpyrimidin-2-yl)thio]hexanoic acid ethyl ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCSC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O2S/c1-2-28-22(27)16-10-5-11-17-29-24-25-18-21(19-12-6-3-7-13-19)23(26-24)20-14-8-4-9-15-20/h3-4,6-9,12-15,18H,2,5,10-11,16-17H2,1H3