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Concept information

Preferred term

n-[(2r,3r,6s)-6-[2-[[(4-chloroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C20H24ClN5O4

inchi

  • InChI=1S/C20H24ClN5O4/c21-13-1-3-14(4-2-13)25-20(29)24-8-7-15-5-6-16(18(12-27)30-15)26-19(28)17-11-22-9-10-23-17/h1-4,9-11,15-16,18,27H,5-8,12H2,(H,26,28)(H2,24,25,29)/t15-,16+,18-/m0/s1

inchikey

  • OWGSILQKVGHWMO-JZXOWHBKSA-N

mass

  • 433.889

monoisotopicmass

  • 433.15168

smiles

  • C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)NC2=CC=C(C=C2)Cl)CO)NC(=O)C3=NC=CN=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118468

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