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Concept information

Preferred term

AFN911  

Type

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

charge

  • 0

formula

  • C29H33N7O2

inchi

  • InChI=1S/C29H33N7O2/c1-35-13-15-36(16-14-35)19-21-4-6-22(7-5-21)28(38)32-25-9-8-24(20-37)27(17-25)34-29-31-12-10-26(33-29)23-3-2-11-30-18-23/h2-12,17-18,24,27,37H,13-16,19-20H2,1H3,(H,32,38)(H,31,33,34)

inchikey

  • JBSTUPHUZMAVFU-UHFFFAOYSA-N

mass

  • 511.630

monoisotopicmass

  • 511.26957

smiles

  • OCC1C(NC=2N=C(C=CN2)C=3C=CC=NC3)C=C(NC(=O)C4=CC=C(CN5CCN(CC5)C)C=C4)C=C1

subset

  • 2_STAR

synonym EXACT

  • N-[4-(hydroxymethyl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexa-1,5-dien-1-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187019

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