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Concept information

Preferred term

CHIR 98014  

Type

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

charge

  • 0

formula

  • C20H17Cl2N9O2

inchi

  • InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)

inchikey

  • MDZCSIDIPDZWKL-UHFFFAOYSA-N

mass

  • 486.320

monoisotopicmass

  • 485.08823

smiles

  • NC1=C(C=CC(NCCNC2=NC=C(N3C=CN=C3)C(=N2)C2=C(Cl)C=C(Cl)C=C2)=N1)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

  • N(6)-(2-{[4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-yl]amino}ethyl)-3-nitropyridine-2,6-diamine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167657

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