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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > n-acylpiperidine > (3r,4s)-tofacitinib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > n-acylpiperidine > (3r,4s)-tofacitinib

Preferred term

(3r,4s)-tofacitinib  

Type

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

Broader concept

charge

  • 0

formula

  • C16H20N6O

inchi

  • InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1

inchikey

  • UJLAWZDWDVHWOW-AAEUAGOBSA-N

mass

  • 312.377

monoisotopicmass

  • 312.16986

smiles

  • O=C(N1C[C@H](N(C2=NC=NC=3NC=CC23)C)[C@H](CC1)C)CC#N

subset

  • 2_STAR

synonym EXACT

  • 3-[(3R,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176764

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