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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone

Preferred term

1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone  

Type

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

charge

  • 0

formula

  • C16H12N6OS2

inchi

  • InChI=1S/C16H12N6OS2/c1-9(23)10-4-3-5-11(6-10)12-7-24-14-13(12)15(18-8-17-14)25-16-19-20-21-22(16)2/h3-8H,1-2H3

inchikey

  • KNVBOZXKUXBZHJ-UHFFFAOYSA-N

mass

  • 368.439

monoisotopicmass

  • 368.05140

smiles

  • CC(=O)C1=CC=CC(=C1)C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92092

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