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Details

Stereochemistry RACEMIC
Molecular Formula C9H12N4O3S
Molecular Weight 256.282
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-Dihydro-1,3-dimethyl-7-[(methylsulfinyl)methyl]-1H-purine-2,6-dione

SMILES

CN1C2=C(N(C[S+](C)[O-])C=N2)C(=O)N(C)C1=O

InChI

InChIKey=RSOTUUBAXPPXSG-UHFFFAOYSA-N
InChI=1S/C9H12N4O3S/c1-11-7-6(8(14)12(2)9(11)15)13(4-10-7)5-17(3)16/h4H,5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H12N4O3S
Molecular Weight 256.282
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:53:49 GMT 2025
Edited
by admin
on Tue Apr 01 17:53:49 GMT 2025
Record UNII
2DGP325WTJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-Dihydro-1,3-dimethyl-7-[(methylsulfinyl)methyl]-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(methylsulfinyl)methyl]-
Preferred Name English
Code System Code Type Description
FDA UNII
2DGP325WTJ
Created by admin on Tue Apr 01 17:53:49 GMT 2025 , Edited by admin on Tue Apr 01 17:53:49 GMT 2025
PRIMARY
CAS
55830-13-2
Created by admin on Tue Apr 01 17:53:49 GMT 2025 , Edited by admin on Tue Apr 01 17:53:49 GMT 2025
PRIMARY
PUBCHEM
163068190
Created by admin on Tue Apr 01 17:53:49 GMT 2025 , Edited by admin on Tue Apr 01 17:53:49 GMT 2025
PRIMARY