3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(4-fluorobenzyl)propionamide Formula: C17H20FN3OS MolecularWeight: 333.423603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN3OS/c1-11-15(12(2)21-17(20-11)23-3)8-9-16(22)19-10-13-4-6-14(18)7-5-13/h4-7H,8-10H2,1-3H3,(H,19,22)