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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O.C4H4O4
Molecular Weight 348.3538
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MS-818

SMILES

OC(=O)\C=C/C(O)=O.CN1CC2=NC(=NC=C2C1=O)N3CCCCC3

InChI

InChIKey=LLODWRMBHSQFNW-BTJKTKAUSA-N
InChI=1S/C12H16N4O.C4H4O4/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h7H,2-6,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C12H16N4O
Molecular Weight 232.2816
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:48:02 GMT 2025
Edited
by admin
on Wed Apr 02 04:48:02 GMT 2025
Record UNII
ASO5IK56NV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MS-818
Code English
5H-PYRROLO(3,4-D)PYRIMIDIN-5-ONE, 6,7-DIHYDRO-6-METHYL-2-(1-PIPERAZINYL)-, MALEATE
Preferred Name English
6,7-DIHYDRO-6-METHYL-2-(1-PIPERAZINYL)-5H-PYRROLO(3,4-D)PYRIMIDIN-5-ONE (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
ASO5IK56NV
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
46182707
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
149607-79-4
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
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