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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O
Molecular Weight 232.2816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MS-818 FREE BASE

SMILES

CN1CC2=NC(=NC=C2C1=O)N3CCCCC3

InChI

InChIKey=YMJJMENUYBRBET-UHFFFAOYSA-N
InChI=1S/C12H16N4O/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5H-PYRROLO(3,4-D)PYRIMIDIN-5-ONE, 6,7-DIHYDRO-6-METHYL-2-(1-PIPERAZINYL)-
Preferred Name English
MS-818 FREE BASE
Code English
6,7-DIHYDRO-6-METHYL-2-(1-PIPERAZINYL)-5H-PYRROLO(3,4-D)PYRIMIDIN-5-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
H9LS0M0NT5
Created by admin on Wed Apr 02 04:48:02 GMT 2025 , Edited by admin on Wed Apr 02 04:48:02 GMT 2025
PRIMARY
CAS
104966-11-2
Created by admin on Wed Apr 02 04:48:02 GMT 2025 , Edited by admin on Wed Apr 02 04:48:02 GMT 2025
PRIMARY
PUBCHEM
3078701
Created by admin on Wed Apr 02 04:48:02 GMT 2025 , Edited by admin on Wed Apr 02 04:48:02 GMT 2025
PRIMARY
SALT/SOLVATE (PARENT)
Structure of MS-818
SUBSTANCE RECORD
Structure of MS-818 FREE BASE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966