N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-(2-fluorophenyl)propanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-(2-fluorophenyl)propionamide Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3F)C

InChI

InChI=1S/C21H20FN3OS/c1-14-13-15(2)24-21(23-14)27-18-10-8-17(9-11-18)25-20(26)12-7-16-5-3-4-6-19(16)22/h3-6,8-11,13H,7,12H2,1-2H3,(H,25,26)