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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N4O2
Molecular Weight 256.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,9-Dihydro-1,8-dimethyl-3-phenyl-1H-purine-2,6-dione

SMILES

CN1C(=O)N(C2=C(NC(C)=N2)C1=O)C3=CC=CC=C3

InChI

InChIKey=IUBYSRVXJPSEMI-UHFFFAOYSA-N
InChI=1S/C13H12N4O2/c1-8-14-10-11(15-8)17(9-6-4-3-5-7-9)13(19)16(2)12(10)18/h3-7H,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H12N4O2
Molecular Weight 256.26
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 10:41:07 GMT 2025
Edited
by admin
on Wed Apr 02 10:41:07 GMT 2025
Record UNII
CBE4WPY5B4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-4026
Preferred Name English
3,9-Dihydro-1,8-dimethyl-3-phenyl-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 3,9-dihydro-1,8-dimethyl-3-phenyl-
Systematic Name English
Code System Code Type Description
CAS
72702-76-2
Created by admin on Wed Apr 02 10:41:07 GMT 2025 , Edited by admin on Wed Apr 02 10:41:07 GMT 2025
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FDA UNII
CBE4WPY5B4
Created by admin on Wed Apr 02 10:41:07 GMT 2025 , Edited by admin on Wed Apr 02 10:41:07 GMT 2025
PRIMARY
PUBCHEM
166294
Created by admin on Wed Apr 02 10:41:07 GMT 2025 , Edited by admin on Wed Apr 02 10:41:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID50223005
Created by admin on Wed Apr 02 10:41:07 GMT 2025 , Edited by admin on Wed Apr 02 10:41:07 GMT 2025
PRIMARY