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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18N6O
Molecular Weight 382.4179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-(4-((E)-2-CYANOVINYL)-2-(HYDROXYMETHYL)-6-METHYL-ANILINO)PYRIMIDIN-2-YL)AMINO)BENZONITRILE

SMILES

CC1=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(CO)=CC(\C=C\C#N)=C1

InChI

InChIKey=KRXOLCAKDTZFHM-NSCUHMNNSA-N
InChI=1S/C22H18N6O/c1-15-11-17(3-2-9-23)12-18(14-29)21(15)27-20-8-10-25-22(28-20)26-19-6-4-16(13-24)5-7-19/h2-8,10-12,29H,14H2,1H3,(H2,25,26,27,28)/b3-2+

HIDE SMILES / InChI

Molecular Formula C22H18N6O
Molecular Weight 382.4179
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 Thu Jul 06 20:50:29 UTC 2023
Edited
by admin
on Thu Jul 06 20:50:29 UTC 2023
Record UNII
BJD4RR2QTE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-(4-((E)-2-CYANOVINYL)-2-(HYDROXYMETHYL)-6-METHYL-ANILINO)PYRIMIDIN-2-YL)AMINO)BENZONITRILE
Systematic Name English
BENZONITRILE, 4-((4-((4-(2-CYANOETHENYL)-2-(HYDROXYMETHYL)-6-METHYLPHENYL)AMINO)-2-PYRIMIDINYL)AMINO)-
Systematic Name English
RILPIVIRINE METABOLITE 33
Common Name English
R419763
Code English
Code System Code Type Description
FDA UNII
BJD4RR2QTE
Created by admin on Thu Jul 06 20:50:29 UTC 2023 , Edited by admin on Thu Jul 06 20:50:29 UTC 2023
PRIMARY
PUBCHEM
125391390
Created by admin on Thu Jul 06 20:50:30 UTC 2023 , Edited by admin on Thu Jul 06 20:50:30 UTC 2023
PRIMARY
CAS
1798429-64-7
Created by admin on Thu Jul 06 20:50:29 UTC 2023 , Edited by admin on Thu Jul 06 20:50:29 UTC 2023
PRIMARY
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