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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20F3N7O3
Molecular Weight 451.4024
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHIR-21208

SMILES

COCC(=O)N(CC(N)=O)C1=NC(NCC2=CC=C(C=C2)C(F)(F)F)=C3N=CN(C)C3=N1

InChI

InChIKey=YBNROIWEBSZURX-UHFFFAOYSA-N
InChI=1S/C19H20F3N7O3/c1-28-10-25-15-16(24-7-11-3-5-12(6-4-11)19(20,21)22)26-18(27-17(15)28)29(8-13(23)30)14(31)9-32-2/h3-6,10H,7-9H2,1-2H3,(H2,23,30)(H,24,26,27)

HIDE SMILES / InChI

Molecular Formula C19H20F3N7O3
Molecular Weight 451.4024
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:52:31 GMT 2023
Edited
by admin
on Sat Dec 16 07:52:31 GMT 2023
Record UNII
E4UVE212VL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHIR-21208
Common Name English
ACETAMIDE, N-(2-AMINO-2-OXOETHYL)-2-METHOXY-N-(9-METHYL-6-(((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)-9H-PURIN-2-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
E4UVE212VL
Created by admin on Sat Dec 16 07:52:31 GMT 2023 , Edited by admin on Sat Dec 16 07:52:31 GMT 2023
PRIMARY
CAS
206275-65-2
Created by admin on Sat Dec 16 07:52:31 GMT 2023 , Edited by admin on Sat Dec 16 07:52:31 GMT 2023
PRIMARY
PUBCHEM
9955458
Created by admin on Sat Dec 16 07:52:31 GMT 2023 , Edited by admin on Sat Dec 16 07:52:31 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY