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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone

Preferred term

1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C17H19N3OS

inchi

  • InChI=1S/C17H19N3OS/c1-5-6-15-11(2)18-17(22-4)20-16(15)19-14-9-7-13(8-10-14)12(3)21/h5,7-10H,1,6H2,2-4H3,(H,18,19,20)

inchikey

  • RLOYZRXJORMUGM-UHFFFAOYSA-N

mass

  • 313.419

monoisotopicmass

  • 313.12488

smiles

  • CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)C)CC=C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116472

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