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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H19F3N10O4
Molecular Weight 556.4568
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-3526318

SMILES

C[C@H](N1C=NC2=C1C(=O)N(CC3=NC(C)=NO3)C(=O)N2C)C(=O)NC4=NC(=CC=C4)C5=CN=C(N=C5)C(F)(F)F

InChI

InChIKey=UMRMICUACMEDEJ-NSHDSACASA-N
InChI=1S/C23H19F3N10O4/c1-11(19(37)32-15-6-4-5-14(31-15)13-7-27-21(28-8-13)23(24,25)26)36-10-29-18-17(36)20(38)35(22(39)34(18)3)9-16-30-12(2)33-40-16/h4-8,10-11H,9H2,1-3H3,(H,31,32,37)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H19F3N10O4
Molecular Weight 556.4568
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:27:43 GMT 2025
Edited
by admin
on Wed Apr 02 11:27:43 GMT 2025
Record UNII
78FE5XHE27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-3526318
Code English
(S)-2-(3-Methyl-1-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-(2-(trifluoromethyl)pyrimidin-5-yl)pyridin-2-yl)propanamide
Preferred Name English
7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-?,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-N-[6-[2-(trifluoromethyl)-5-pyrimidinyl]-2-pyridinyl]-, (?S)-
Systematic Name English
(?S)-1,2,3,6-Tetrahydro-?,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-N-[6-[2-(trifluoromethyl)-5-pyrimidinyl]-2-pyridinyl]-7H-purine-7-acetamide
Systematic Name English
Code System Code Type Description
FDA UNII
78FE5XHE27
Created by admin on Wed Apr 02 11:27:43 GMT 2025 , Edited by admin on Wed Apr 02 11:27:43 GMT 2025
PRIMARY
PUBCHEM
118961431
Created by admin on Wed Apr 02 11:27:43 GMT 2025 , Edited by admin on Wed Apr 02 11:27:43 GMT 2025
PRIMARY
CAS
1889218-34-1
Created by admin on Wed Apr 02 11:27:43 GMT 2025 , Edited by admin on Wed Apr 02 11:27:43 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY