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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-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-methyl-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-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-methyl-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-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-methyl-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-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Preferred term

5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C18H23N3O2S

inchi

  • InChI=1S/C18H23N3O2S/c1-11-9-13(12(2)21(11)14-7-5-4-6-8-14)10-15-16(22)19-18(24)20(3)17(15)23/h9-10,14H,4-8H2,1-3H3,(H,19,22,24)

inchikey

  • YBBPQSODVBZFET-UHFFFAOYSA-N

mass

  • 345.461

monoisotopicmass

  • 345.15110

smiles

  • CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112746

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