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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4N6O
Molecular Weight 176.1356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-4-OXO-3,4-DIHYDROIMIDAZO(5,1-D)(1,2,3,5)TETRAZINE-8-CARBONITRILE

SMILES

CN1N=NC2=C(N=CN2C1=O)C#N

InChI

InChIKey=VVSHZIRQNZADET-UHFFFAOYSA-N
InChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3

HIDE SMILES / InChI
Molecular Formula C6H4N6O
Molecular Weight 176.1356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 10:52:36 GMT 2025
Edited
by admin
on Wed Apr 02 10:52:36 GMT 2025
Record UNII
7H0G4H1HOV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANOTEMOZOL OMIDE [USP IMPURITY]
Preferred Name English
3-METHYL-4-OXO-3,4-DIHYDROIMIDAZO(5,1-D)(1,2,3,5)TETRAZINE-8-CARBONITRILE
Systematic Name English
8-CYANO-3-METHYL-(3H)-IMIDAZO(5,1-D)-TETRAZIN-4-ONE
Systematic Name English
3,4-DIHYDRO-3-METHYL-4-OXOIMIDAZO(5,1-D)-1,2,3,5-TETRAZINE-8-CARBONITRILE
Systematic Name English
TEMOZOLOMIDE IMPURITY, CYANOTEMOZOL OMIDE [USP IMPURITY]
Common Name English
TEMOZOLOMIDE IMPURITY C [EP IMPURITY]
Common Name English
IMIDAZO(5,1-D)-1,2,3,5-TETRAZINE-8-CARBONITRILE, 3,4-DIHYDRO-3-METHYL-4-OXO-
Systematic Name English
Code System Code Type Description
CAS
114601-31-9
Created by admin on Wed Apr 02 10:52:36 GMT 2025 , Edited by admin on Wed Apr 02 10:52:36 GMT 2025
PRIMARY
PUBCHEM
10986802
Created by admin on Wed Apr 02 10:52:36 GMT 2025 , Edited by admin on Wed Apr 02 10:52:36 GMT 2025
PRIMARY
FDA UNII
7H0G4H1HOV
Created by admin on Wed Apr 02 10:52:36 GMT 2025 , Edited by admin on Wed Apr 02 10:52:36 GMT 2025
PRIMARY
Related Record Type Details
Structure of TEMOZOLOMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TEMOZOLOMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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