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Details

Stereochemistry ACHIRAL
Molecular Formula C22H16N6
Molecular Weight 364.4026
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

CC1=C2NC3=NC(NC4=CC=C(C=C4)C#N)=NC=C3CC2=CC(\C=C\C#N)=C1

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 364.4026
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 Dec 16 11:36:53 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:53 GMT 2023
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 Dec 16 11:36:53 GMT 2023 , Edited by admin on Sat Dec 16 11:36:53 GMT 2023
PRIMARY
FDA UNII
H3I86517OH
Created by admin on Sat Dec 16 11:36:53 GMT 2023 , Edited by admin on Sat Dec 16 11:36:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE