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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11N5O4
Molecular Weight 313.2682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1,3-BENZODIOXOL-5-YL)-1,6-DIMETHYLPYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE

SMILES

CN1N=C(N=C2C(=O)N(C)C(=O)N=C12)C3=CC=C4OCOC4=C3

InChI

InChIKey=FEQRWFABERLIOV-UHFFFAOYSA-N
InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H11N5O4
Molecular Weight 313.2682
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 19:35:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:59 GMT 2025
Record UNII
SCC7A7FS0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-280175
Preferred Name English
3-(1,3-BENZODIOXOL-5-YL)-1,6-DIMETHYLPYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE
Systematic Name English
PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE, 3-(1,3-BENZODIOXOL-5-YL)-1,6-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60200226
Created by admin on Tue Apr 01 19:35:59 GMT 2025 , Edited by admin on Tue Apr 01 19:35:59 GMT 2025
PRIMARY
NSC
280175
Created by admin on Tue Apr 01 19:35:59 GMT 2025 , Edited by admin on Tue Apr 01 19:35:59 GMT 2025
PRIMARY
FDA UNII
SCC7A7FS0B
Created by admin on Tue Apr 01 19:35:59 GMT 2025 , Edited by admin on Tue Apr 01 19:35:59 GMT 2025
PRIMARY
PUBCHEM
322479
Created by admin on Tue Apr 01 19:35:59 GMT 2025 , Edited by admin on Tue Apr 01 19:35:59 GMT 2025
PRIMARY
CAS
52199-05-0
Created by admin on Tue Apr 01 19:35:59 GMT 2025 , Edited by admin on Tue Apr 01 19:35:59 GMT 2025
PRIMARY