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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O3
Molecular Weight 224.2166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLLIBERINE

SMILES

COC1=NC2=C(N(C)C(=O)N2C)C(=O)N1C

InChI

InChIKey=ZVQXCXPGLSBNCX-UHFFFAOYSA-N
InChI=1S/C9H12N4O3/c1-11-5-6(12(2)9(11)15)10-8(16-4)13(3)7(5)14/h1-4H3

HIDE SMILES / InChI

Molecular Formula C9H12N4O3
Molecular Weight 224.2166
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 Wed Apr 02 13:12:56 GMT 2025
Edited
by admin
on Wed Apr 02 13:12:56 GMT 2025
Record UNII
RY9AJC5PA7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLLIBERINE
Common Name English
Methylliberine [WHO-DD]
Preferred Name English
7,9-DIHYDRO-2-METHOXY-1,7,9-TRIMETHYL-1H-PURINE-6,8-DIONE
Systematic Name English
N-Methylliberine
Common Name English
1,2,7,9-TETRAMETHYLURIC ACID
Systematic Name English
2-METHOXY-1,7,9-TRIMETHYL-7,9-DIHYDRO-1H-PURINE-6,8-DIONE
Systematic Name English
PURINE-6,8(1H,9H)-DIONE, 2-METHOXY-1,7,9-TRIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15872156
Created by admin on Wed Apr 02 13:12:56 GMT 2025 , Edited by admin on Wed Apr 02 13:12:56 GMT 2025
PRIMARY
WIKIPEDIA
Methylliberine
Created by admin on Wed Apr 02 13:12:56 GMT 2025 , Edited by admin on Wed Apr 02 13:12:56 GMT 2025
PRIMARY
FDA UNII
RY9AJC5PA7
Created by admin on Wed Apr 02 13:12:56 GMT 2025 , Edited by admin on Wed Apr 02 13:12:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID401045665
Created by admin on Wed Apr 02 13:12:56 GMT 2025 , Edited by admin on Wed Apr 02 13:12:56 GMT 2025
PRIMARY
CAS
51168-26-4
Created by admin on Wed Apr 02 13:12:56 GMT 2025 , Edited by admin on Wed Apr 02 13:12:56 GMT 2025
PRIMARY