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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N5O3
Molecular Weight 223.1888
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CN1N=C(C)[N+]([O-])=C2C(=O)N(C)C(=O)N=C12

InChI

InChIKey=QBKUQDKGVOGZRP-UHFFFAOYSA-N
InChI=1S/C8H9N5O3/c1-4-10-12(3)6-5(13(4)16)7(14)11(2)8(15)9-6/h1-3H3

HIDE SMILES / InChI

Molecular Formula C8H9N5O3
Molecular Weight 223.1888
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 Tue Apr 01 19:37:45 GMT 2025
Edited
by admin
on Tue Apr 01 19:37:45 GMT 2025
Record UNII
A2ML9U5EZ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Systematic Name English
NSC-280172
Preferred Name English
PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE, 1,3,6-TRIMETHYL-, 4-OXIDE
Systematic Name English
1,3,6-trimethyl-5,7-dioxo-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazin-4-ium-4-olate
Systematic Name English
Code System Code Type Description
CAS
60026-34-8
Created by admin on Tue Apr 01 19:37:45 GMT 2025 , Edited by admin on Tue Apr 01 19:37:45 GMT 2025
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NSC
280172
Created by admin on Tue Apr 01 19:37:45 GMT 2025 , Edited by admin on Tue Apr 01 19:37:45 GMT 2025
PRIMARY
PUBCHEM
322476
Created by admin on Tue Apr 01 19:37:45 GMT 2025 , Edited by admin on Tue Apr 01 19:37:45 GMT 2025
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FDA UNII
A2ML9U5EZ4
Created by admin on Tue Apr 01 19:37:45 GMT 2025 , Edited by admin on Tue Apr 01 19:37:45 GMT 2025
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EPA CompTox
DTXSID50208731
Created by admin on Tue Apr 01 19:37:45 GMT 2025 , Edited by admin on Tue Apr 01 19:37:45 GMT 2025
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