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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > t0467

Preferred term

t0467  

Type

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

Broader concept

charge

  • 0

formula

  • C24H26F3N5

inchi

  • InChI=1S/C24H26F3N5/c1-16-14-28-8-9-32(16)15-18-2-3-22(27)21(12-18)23-5-7-30-24(31-23)29-6-4-17-10-19(25)13-20(26)11-17/h2-3,5,7,10-13,16,28H,4,6,8-9,14-15H2,1H3,(H,29,30,31)/t16-/m0/s1

inchikey

  • GNYKYGZGDGZPOK-INIZCTEOSA-N

mass

  • 441.502

monoisotopicmass

  • 441.21403

smiles

  • C[C@]1(CNCCN1CC=2C=CC(=C(C2)C=3C=CN/C(=N/CCC4=CC(=CC(=C4)F)F)/N3)F)[H]

subset

  • 2_STAR

synonym EXACT

  • N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232528

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