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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 4-chloro-n-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > 4-chloro-n-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide

Preferred term

4-chloro-n-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C14H14ClN3OS

inchi

  • InChI=1S/C14H14ClN3OS/c1-9-7-10(2)18-14(17-9)20-8-16-13(19)11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,16,19)

inchikey

  • HTHCOFLGFRGATA-UHFFFAOYSA-N

mass

  • 307.800

monoisotopicmass

  • 307.05461

smiles

  • CC1=CC(=NC(=N1)SCNC(=O)C2=CC=C(C=C2)Cl)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122132

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