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Concept information

Preferred term

3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C17H18N6

inchi

  • InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)

inchikey

  • HFNKQEVNSGCOJV-UHFFFAOYSA-N

mass

  • 306.366

monoisotopicmass

  • 306.15929

smiles

  • C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91405

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