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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone

Preferred term

1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C22H25N3OS2

inchi

  • InChI=1S/C22H25N3OS2/c1-15-10-16(2)13-25(12-15)21(26)14-28-22-18-7-3-4-8-19(18)23-20(24-22)11-17-6-5-9-27-17/h3-9,15-16H,10-14H2,1-2H3

inchikey

  • SGORSFNEAJAJHL-UHFFFAOYSA-N

mass

  • 411.586

monoisotopicmass

  • 411.14390

smiles

  • CC1CC(CN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CS4)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114870

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