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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H27N7O6
Molecular Weight 509.5145
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRE-2029-F-20

SMILES

CCCN1C2=C(NC(=N2)C3=CC(OCC(=O)NC4=CC5=C(OCO5)C=C4)=NN3C)C(=O)N(CCC)C1=O

InChI

InChIKey=DBWQRFKXNBVPGA-UHFFFAOYSA-N
InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)

HIDE SMILES / InChI

Molecular Formula C24H27N7O6
Molecular Weight 509.5145
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 Sat Dec 16 18:10:52 UTC 2023
Edited
by admin
on Sat Dec 16 18:10:52 UTC 2023
Record UNII
NP9YYC47VZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MRE-2029-F-20
Code English
N-1,3-BENZODIOXOL-5-YL-2-((1-METHYL-5-(2,3,6,9-TETRAHYDRO-2,6-DIOXO-1,3-DIPROPYL-1H-PURIN-8-YL)-1H-PYRAZOL-3-YL)OXY)ACETAMIDE
Systematic Name English
MRE-2029F20
Code English
Code System Code Type Description
CAS
574753-99-4
Created by admin on Sat Dec 16 18:10:52 UTC 2023 , Edited by admin on Sat Dec 16 18:10:52 UTC 2023
PRIMARY
PUBCHEM
135484064
Created by admin on Sat Dec 16 18:10:52 UTC 2023 , Edited by admin on Sat Dec 16 18:10:52 UTC 2023
PRIMARY
FDA UNII
NP9YYC47VZ
Created by admin on Sat Dec 16 18:10:52 UTC 2023 , Edited by admin on Sat Dec 16 18:10:52 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY