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Details

Stereochemistry RACEMIC
Molecular Formula C8H12N4O3
Molecular Weight 212.2062
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,7-TRIMETHYL-5,9-DIHYDRO-4H-PURINE-2,6,8-TRIONE

SMILES

CN1[C@@]2([H])[C@@]([H])(N=C1O)N(C)C(=O)N(C)C2=O

InChI

InChIKey=OJKUXNTWKKZZAH-WHFBIAKZSA-N
InChI=1S/C8H12N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h4-5H,1-3H3,(H,9,14)/t4-,5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H12N4O3
Molecular Weight 212.2062
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:38:55 UTC 2021
Edited
by admin
on Sat Jun 26 06:38:55 UTC 2021
Record UNII
7LK9XP3RST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,7-TRIMETHYL-5,9-DIHYDRO-4H-PURINE-2,6,8-TRIONE
Common Name English
1H-PURINE-2,6,8(3H)-TRIONE, TETRAHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
127091-93-4
Created by admin on Sat Jun 26 06:38:55 UTC 2021 , Edited by admin on Sat Jun 26 06:38:55 UTC 2021
PRIMARY SCIFINDER
PUBCHEM
134687411
Created by admin on Sat Jun 26 06:38:55 UTC 2021 , Edited by admin on Sat Jun 26 06:38:55 UTC 2021
PRIMARY
FDA UNII
7LK9XP3RST
Created by admin on Sat Jun 26 06:38:55 UTC 2021 , Edited by admin on Sat Jun 26 06:38:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Mediator Substance is AOX1