N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-fluoranylphenoxy)propanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-fluoranylphenoxy)propanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-fluorophenoxy)propanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-(4-fluorophenoxy)propanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-fluorophenoxy)propanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-(4-fluorophenoxy)propionamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H20FN3O2S/c1-13-12-14(2)24-21(23-13)28-19-10-6-17(7-11-19)25-20(26)15(3)27-18-8-4-16(22)5-9-18/h4-12,15H,1-3H3,(H,25,26)