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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15N5O4
Molecular Weight 329.3107
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,4-DIMETHOXYPHENYL)TOXOFLAVINE

SMILES

COC1=CC=C(C=C1OC)C2=NN(C)C3=NC(=O)N(C)C(=O)C3=N2

InChI

InChIKey=MWQDYWIWJRWUBC-UHFFFAOYSA-N
InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H15N5O4
Molecular Weight 329.3107
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 20:28:34 GMT 2025
Edited
by admin
on Tue Apr 01 20:28:34 GMT 2025
Record UNII
5PZ2F5VUW0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-280174
Preferred Name English
3-(3,4-DIMETHOXYPHENYL)TOXOFLAVINE
Systematic Name English
3-(3,4-DIMETHOXYPHENYL)-1,6-DIMETHYLPYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE
Systematic Name English
PYRIMIDO(5,4-E)-AS-TRIAZINE-5,7(1H,6H)-DIONE, 3-(3,4-DIMETHOXYPHENYL)-1,6-DIMETHYL-
Systematic Name English
PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE, 3-(3,4-DIMETHOXYPHENYL)-1,6-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
5PZ2F5VUW0
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID70186229
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
NSC
280174
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
PUBCHEM
322478
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
CAS
32502-16-2
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY