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2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylhexanoic acid

2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylhexanoic acid

Systemtic Name:2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylhexanoic acid
Openeye Name:2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylhexanoic acid
CAS Name:2-[(4,6-diphenethyloxy-2-pyrimidinyl)thio]hexanoic acid
IUPAC Name:2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylhexanoic acid
Traditional Name:2-[(4,6-diphenethyloxypyrimidin-2-yl)thio]hexanoic acid
Formula: C26H30N2O4S
MolecularWeight: 466.5924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=CC(=N1)OCCC2=CC=CC=C2)OCCC3=CC=CC=C3


Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=CC(=N1)OCCC2=CC=CC=C2)OCCC3=CC=CC=C3


InChI

InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)


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