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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > pyrimidone > barbiturates > 5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > pyrimidone > barbiturates > 5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > pyrimidone > barbiturates > 5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > pyrimidone > barbiturates > 5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Preferred term

5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C18H14F3N3O2S

inchi

  • InChI=1S/C18H14F3N3O2S/c1-10-7-12(14-15(25)22-17(27)23-16(14)26)8-13(18(19,20)21)24(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,22,23,25,26,27)

inchikey

  • MNGXUGSTRXRLNI-UHFFFAOYSA-N

mass

  • 393.385

monoisotopicmass

  • 393.07588

smiles

  • CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1CC3=CC=CC=C3)C(F)(F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112960

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