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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 > s3qel 2.2

Preferred term

s3qel 2.2  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22ClN5

inchi

  • InChI=1S/C22H22ClN5/c1-15(2)27(13-17-7-5-4-6-8-17)21-19-12-26-28(22(19)25-14-24-21)18-10-9-16(3)20(23)11-18/h4-12,14-15H,13H2,1-3H3

inchikey

  • LACDCOVSAZDXTP-UHFFFAOYSA-N

mass

  • 391.900

monoisotopicmass

  • 391.15637

smiles

  • C1=CC=CC(CN(C=2C=3C=NN(C=4C=C(Cl)C(C)=CC4)C3N=CN2)C(C)C)=C1

subset

  • 2_STAR

synonym EXACT

  • N-benzyl-1-(3-chloro-4-methylphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232784

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