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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O2
Molecular Weight 208.2172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Isopropyl-1-methyl-3,7-dihydro-purine-2,6-dione

SMILES

CC(C)N1C2=C(NC=N2)C(=O)N(C)C1=O

InChI

InChIKey=ZBQTVZYXBOKEMJ-UHFFFAOYSA-N
InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-4-11-7)8(14)12(3)9(13)15/h4-5H,1-3H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H12N4O2
Molecular Weight 208.2172
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 07:08:56 GMT 2025
Edited
by admin
on Wed Apr 02 07:08:56 GMT 2025
Record UNII
JH46EUC2D9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Isopropyl-1-methyl-3,7-dihydro-purine-2,6-dione
Systematic Name English
1-methyl-3-propan-2-yl-7H-purine-2,6-dione
Preferred Name English
1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-(1-methylethyl)-
Systematic Name English
3,9-Dihydro-1-methyl-3-(1-methylethyl)-1H-purine-2,6-dione
Systematic Name English
Code System Code Type Description
CAS
102284-72-0
Created by admin on Wed Apr 02 07:08:56 GMT 2025 , Edited by admin on Wed Apr 02 07:08:56 GMT 2025
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FDA UNII
JH46EUC2D9
Created by admin on Wed Apr 02 07:08:56 GMT 2025 , Edited by admin on Wed Apr 02 07:08:56 GMT 2025
PRIMARY
PUBCHEM
10219934
Created by admin on Wed Apr 02 07:08:56 GMT 2025 , Edited by admin on Wed Apr 02 07:08:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID50436895
Created by admin on Wed Apr 02 07:08:56 GMT 2025 , Edited by admin on Wed Apr 02 07:08:56 GMT 2025
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