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

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

Systemtic Name:2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylethanoic acid
Openeye Name:2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylacetic acid
CAS Name:2-[(4,6-diphenethyloxy-2-pyrimidinyl)thio]acetic acid
IUPAC Name:2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylacetic acid
Traditional Name:2-[(4,6-diphenethyloxypyrimidin-2-yl)thio]acetic acid
Formula: C22H22N2O4S
MolecularWeight: 410.48608
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC(=NC(=N2)SCC(=O)O)OCCC3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC(=NC(=N2)SCC(=O)O)OCCC3=CC=CC=C3


InChI

InChI=1S/C22H22N2O4S/c25-21(26)16-29-22-23-19(27-13-11-17-7-3-1-4-8-17)15-20(24-22)28-14-12-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2,(H,25,26)


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