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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-[(3s)-2-[(s)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile

Preferred term

4-[3-[(3s)-2-[(s)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-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

  • C31H34N4O4S

inchi

  • InChI=1S/C31H34N4O4S/c1-31(2,3)40(38)35-20-25-18-26(30(37)34-12-15-39-16-13-34)33-29(28(25)27(35)11-14-36)24-6-4-5-23(17-24)22-9-7-21(19-32)8-10-22/h4-10,17-18,27,36H,11-16,20H2,1-3H3/t27-,40-/m0/s1

inchikey

  • IMNSYTYGXZBRLR-PDBZVODSSA-N

mass

  • 558.693

monoisotopicmass

  • 558.23008

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)N5CCOCC5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99450

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