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Details

Stereochemistry ACHIRAL
Molecular Formula C13H9Cl2N5O3
Molecular Weight 354.148
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

SMILES

CN1N=C(C2=CC(Cl)=C(Cl)C=C2)[N+]([O-])=C3C(=O)N(C)C(=O)N=C13

InChI

InChIKey=OBFUWELLQPHHFV-UHFFFAOYSA-N
InChI=1S/C13H9Cl2N5O3/c1-18-12(21)9-11(16-13(18)22)19(2)17-10(20(9)23)6-3-4-7(14)8(15)5-6/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H9Cl2N5O3
Molecular Weight 354.148
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 Sat Dec 16 12:49:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:24 GMT 2023
Record UNII
QUP9DN9BEG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Systematic Name English
PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE,3-(3,4-DICHLOROPHENYL)-1,6-DIMETHYL-, 4-OXIDE
Common Name English
NSC-277834
Code English
Pyrimido[5,4-e]-as-triazine-5,7(1H,6H)-dione, 3-(3,4-dichlorophenyl)-1,6-dimethyl-, 4-oxide
Common Name English
Code System Code Type Description
FDA UNII
QUP9DN9BEG
Created by admin on Sat Dec 16 12:49:24 GMT 2023 , Edited by admin on Sat Dec 16 12:49:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID90186221
Created by admin on Sat Dec 16 12:49:24 GMT 2023 , Edited by admin on Sat Dec 16 12:49:24 GMT 2023
PRIMARY
NSC
277834
Created by admin on Sat Dec 16 12:49:24 GMT 2023 , Edited by admin on Sat Dec 16 12:49:24 GMT 2023
PRIMARY
PUBCHEM
322057
Created by admin on Sat Dec 16 12:49:24 GMT 2023 , Edited by admin on Sat Dec 16 12:49:24 GMT 2023
PRIMARY
CAS
32496-16-5
Created by admin on Sat Dec 16 12:49:24 GMT 2023 , Edited by admin on Sat Dec 16 12:49:24 GMT 2023
PRIMARY