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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > chlorobenzenes > dichlorobenzene > 4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > 4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > 4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine

Preferred term

4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine  

Type

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

Broader concept

charge

  • 0

formula

  • C17H19Cl2N3OS2

inchi

  • InChI=1S/C17H19Cl2N3OS2/c1-24-11-13-9-16(22-4-6-23-7-5-22)21-17(20-13)25-10-12-2-3-14(18)15(19)8-12/h2-3,8-9H,4-7,10-11H2,1H3

inchikey

  • WTRXEPZLZIHAFM-UHFFFAOYSA-N

mass

  • 416.391

monoisotopicmass

  • 415.03466

smiles

  • CSCC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)Cl)Cl)N3CCOCC3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111182

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