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Details

Stereochemistry ACHIRAL
Molecular Formula C9H17N6
Molecular Weight 209.2715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4,6-BIS(DIMETHYLAMINO)-N-METHYL-N-METHYLENE-1,3,5-TRIAZIN-2-AMINIUM

SMILES

CN(C)C1=NC(=NC(=N1)N(C)C)[N+](C)=C

InChI

InChIKey=CWETZZYDJGONDJ-UHFFFAOYSA-N
InChI=1S/C9H17N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1H2,2-6H3/q+1

HIDE SMILES / InChI

Molecular Formula C9H17N6
Molecular Weight 209.2715
Charge 1
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 Sat Dec 16 13:44:37 UTC 2023
Edited
by admin
on Sat Dec 16 13:44:37 UTC 2023
Record UNII
A4Z3AA4EUC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6-BIS(DIMETHYLAMINO)-N-METHYL-N-METHYLENE-1,3,5-TRIAZIN-2-AMINIUM
Systematic Name English
(4,6-BIS(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL)-METHYL-METHYLENE-AMMONIUM
Systematic Name English
1,3,5-TRIAZIN-2-AMINIUM, 4,6-BIS(DIMETHYLAMINO)-N-METHYL-N-METHYLENE-
Systematic Name English
Code System Code Type Description
PUBCHEM
163203551
Created by admin on Sat Dec 16 13:44:37 UTC 2023 , Edited by admin on Sat Dec 16 13:44:37 UTC 2023
PRIMARY
FDA UNII
A4Z3AA4EUC
Created by admin on Sat Dec 16 13:44:37 UTC 2023 , Edited by admin on Sat Dec 16 13:44:37 UTC 2023
PRIMARY
CAS
162257-87-6
Created by admin on Sat Dec 16 13:44:37 UTC 2023 , Edited by admin on Sat Dec 16 13:44:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP450-mediated metabolism generated this electrophilic iminium species that is capaple of reacting covalently with DNA guanine and cytosine residues, as well as protein.
URINE