N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(2,6-dimethyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-chlorobenzyl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]propionamide Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3OS/c1-10-8-15(20-12(3)19-10)22-11(2)16(21)18-9-13-4-6-14(17)7-5-13/h4-8,11H,9H2,1-3H3,(H,18,21)