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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > 4-[3-[(3r)-2-[(r)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile

Preferred term

4-[3-[(3r)-2-[(r)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C32H37N5O3S

inchi

  • InChI=1S/C32H37N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)36-15-13-35(4)14-16-36)34-30(29(26)28(37)12-17-38)25-7-5-6-24(18-25)23-10-8-22(20-33)9-11-23/h5-11,18-19,28,38H,12-17,21H2,1-4H3/t28-,41-/m1/s1

inchikey

  • QBIQCDDCSMFVTJ-GIEABIOQSA-N

mass

  • 571.735

monoisotopicmass

  • 571.26171

smiles

  • CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)N5CCN(CC5)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101575

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