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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14N4O
Molecular Weight 266.2979
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UK-459,979

SMILES

CCC1=C(OC2=CC(=CC(=C2)C#N)C#N)C(CC)=NN1

InChI

InChIKey=LTSBRJXQVVZDJZ-UHFFFAOYSA-N
InChI=1S/C15H14N4O/c1-3-13-15(14(4-2)19-18-13)20-12-6-10(8-16)5-11(7-12)9-17/h5-7H,3-4H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H14N4O
Molecular Weight 266.2979
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 16:42:18 UTC 2023
Edited
by admin
on Sat Dec 16 16:42:18 UTC 2023
Record UNII
589NV24LHC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UK-459,979
Code English
3-CYANO-5-((3,5-DIETHYL-1H-PYRAZOL-4-YL)OXY)BENZONITRILE
Systematic Name English
1,3-BENZENEDICARBONITRILE, 5-((3,5-DIETHYL-1H-PYRAZOL-4-YL)OXY)-
Systematic Name English
LERSIVIRINE METABOLITE M21
Common Name English
UK-459979
Code English
5-((3,5-DIETHYL-1H-PYRAZOL-4-YL)OXY)-1,3-BENZENEDICARBONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
589NV24LHC
Created by admin on Sat Dec 16 16:42:18 UTC 2023 , Edited by admin on Sat Dec 16 16:42:18 UTC 2023
PRIMARY
CAS
473921-15-2
Created by admin on Sat Dec 16 16:42:18 UTC 2023 , Edited by admin on Sat Dec 16 16:42:18 UTC 2023
PRIMARY
PUBCHEM
21949819
Created by admin on Sat Dec 16 16:42:18 UTC 2023 , Edited by admin on Sat Dec 16 16:42:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
FECAL