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Details

Stereochemistry ACHIRAL
Molecular Formula C23H17ClN6O
Molecular Weight 428.874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[7-Chloro-2-[(4-cyanophenyl)amino]-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]-3,5-dimethylbenzonitrile

SMILES

CN1C=C(Cl)C2=NC(NC3=CC=C(C=C3)C#N)=NC(OC4=C(C)C=C(C=C4C)C#N)=C12

InChI

InChIKey=UYJWQDOEIJXVKV-UHFFFAOYSA-N
InChI=1S/C23H17ClN6O/c1-13-8-16(11-26)9-14(2)21(13)31-22-20-19(18(24)12-30(20)3)28-23(29-22)27-17-6-4-15(10-25)5-7-17/h4-9,12H,1-3H3,(H,27,28,29)

HIDE SMILES / InChI

Molecular Formula C23H17ClN6O
Molecular Weight 428.874
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:35 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:35 GMT 2025
Record UNII
7299FCG3QR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[[7-Chloro-2-[(4-cyanophenyl)amino]-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]-3,5-dimethylbenzonitrile
Systematic Name English
Benzonitrile, 4-[[7-chloro-2-[(4-cyanophenyl)amino]-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]-3,5-dimethyl-
Preferred Name English
Code System Code Type Description
FDA UNII
7299FCG3QR
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY
PUBCHEM
57693607
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY
CAS
914496-28-9
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY