U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H11ClN6O
Molecular Weight 230.655
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nitrososimazine

SMILES

CCNC1=NC(Cl)=NC(=N1)N(CC)N=O

InChI

InChIKey=OKVLOVNSJIXWJD-UHFFFAOYSA-N
InChI=1S/C7H11ClN6O/c1-3-9-6-10-5(8)11-7(12-6)14(4-2)13-15/h3-4H2,1-2H3,(H,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula C7H11ClN6O
Molecular Weight 230.655
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 Fri Dec 15 17:59:46 GMT 2023
Edited
by admin
on Fri Dec 15 17:59:46 GMT 2023
Record UNII
L3PFF66ZN5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nitrososimazine
Common Name English
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-N2-nitroso-
Systematic Name English
6-Chloro-N2,N4-diethyl-N2-nitroso-1,3,5-triazine-2,4-diamine
Systematic Name English
Code System Code Type Description
PUBCHEM
165503
Created by admin on Fri Dec 15 17:59:46 GMT 2023 , Edited by admin on Fri Dec 15 17:59:46 GMT 2023
PRIMARY
FDA UNII
L3PFF66ZN5
Created by admin on Fri Dec 15 17:59:46 GMT 2023 , Edited by admin on Fri Dec 15 17:59:46 GMT 2023
PRIMARY
CAS
6494-81-1
Created by admin on Fri Dec 15 17:59:46 GMT 2023 , Edited by admin on Fri Dec 15 17:59:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID00215253
Created by admin on Fri Dec 15 17:59:46 GMT 2023 , Edited by admin on Fri Dec 15 17:59:46 GMT 2023
PRIMARY