U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ACHIRAL
Molecular Formula C23H22N8O
Molecular Weight 426.4738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETRUMADENANT

SMILES

CC1=C(C=CC=C1C2=NC(N)=NC(=C2)C3=CN(CC4=CC=CC(=N4)C(C)(C)O)N=N3)C#N

InChI

InChIKey=BUXIAWLTBSXYSW-UHFFFAOYSA-N
InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)

HIDE SMILES / InChI

Molecular Formula C23H22N8O
Molecular Weight 426.4738
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 Tue Apr 01 22:38:02 GMT 2025
Edited
by admin
on Tue Apr 01 22:38:02 GMT 2025
Record UNII
W0ZE0NT8IF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-amino-6-(1-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyrimidin-4-yl)-2-methylbenzonitrile
Preferred Name English
ETRUMADENANT
USAN   INN  
Official Name English
AB-928
Code English
etrumadenant [INN]
Common Name English
Benzonitrile, 3-[2-amino-6-[1-[[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]methyl]-1H-1,2,3-triazol-4-yl]-4-pyrimidinyl]-2-methyl-
Systematic Name English
Etrumadenant [WHO-DD]
Common Name English
AB928
Code English
ETRUMADENANT [USAN]
Common Name English
Code System Code Type Description
USAN
KL-41
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY
PUBCHEM
135242184
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY
INN
11620
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY INN
SMS_ID
300000015762
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY
FDA UNII
W0ZE0NT8IF
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY
CAS
2239273-34-6
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY
NCI_THESAURUS
C159564
Created by admin on Tue Apr 01 22:38:02 GMT 2025 , Edited by admin on Tue Apr 01 22:38:02 GMT 2025
PRIMARY
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