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Details

Stereochemistry ACHIRAL
Molecular Formula C22H16N6
Molecular Weight 364.4035
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-((7-((E)-2-CYANOVINYL)-9-METHYL-5,10-DIHYDROPYRIMIDO(4,5-B)QUINOLIN-2-YL)AMINO)BENZONITRILE

SMILES

Cc1cc(/C(/[H])=C(\[H])/C#N)cc2CC3=CN=C(Nc4ccc(cc4)C#N)NC3=Nc12

InChI

InChIKey=IKSPUARNCIDQLB-NSCUHMNNSA-N
InChI=1S/C22H16N6/c1-14-9-16(3-2-8-23)10-17-11-18-13-25-22(28-21(18)27-20(14)17)26-19-6-4-15(12-24)5-7-19/h2-7,9-10,13H,11H2,1H3,(H2,25,26,27,28)/b3-2+

HIDE SMILES / InChI

Molecular Formula C22H16N6
Molecular Weight 364.4035
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:06:41 UTC 2021
Edited
by admin
on Sat Jun 26 11:06:41 UTC 2021
Record UNII
H3I86517OH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((7-((E)-2-CYANOVINYL)-9-METHYL-5,10-DIHYDROPYRIMIDO(4,5-B)QUINOLIN-2-YL)AMINO)BENZONITRILE
Systematic Name English
RILPIVIRINE METABOLITE 27
Common Name English
Code System Code Type Description
PUBCHEM
138393943
Created by admin on Sat Jun 26 11:06:41 UTC 2021 , Edited by admin on Sat Jun 26 11:06:41 UTC 2021
PRIMARY
FDA UNII
H3I86517OH
Created by admin on Sat Jun 26 11:06:41 UTC 2021 , Edited by admin on Sat Jun 26 11:06:41 UTC 2021
PRIMARY
Related Record Type Details
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