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Details

Stereochemistry ACHIRAL
Molecular Formula C13H9Cl2N5O2
Molecular Weight 338.149
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-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

SMILES

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

InChI

InChIKey=WXPVEFQJXLQDFO-UHFFFAOYSA-N
InChI=1S/C13H9Cl2N5O2/c1-19-12(21)9-11(17-13(19)22)20(2)18-10(16-9)6-3-4-7(14)8(15)5-6/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H9Cl2N5O2
Molecular Weight 338.149
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 13:17:01 GMT 2023
Edited
by admin
on Sat Dec 16 13:17:01 GMT 2023
Record UNII
9R4V8HB8MT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3,4-dichlorophenyl)-1,6-dimethyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Systematic Name English
3-(3,4-Dichlorophenyl)-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-(3,4-DICHLOROPHENYL)-1,6-DIMETHYL-
Common Name English
NSC-280173
Code English
Code System Code Type Description
NSC
280173
Created by admin on Sat Dec 16 13:17:01 GMT 2023 , Edited by admin on Sat Dec 16 13:17:01 GMT 2023
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EPA CompTox
DTXSID90195116
Created by admin on Sat Dec 16 13:17:01 GMT 2023 , Edited by admin on Sat Dec 16 13:17:01 GMT 2023
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CAS
42285-69-8
Created by admin on Sat Dec 16 13:17:01 GMT 2023 , Edited by admin on Sat Dec 16 13:17:01 GMT 2023
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FDA UNII
9R4V8HB8MT
Created by admin on Sat Dec 16 13:17:01 GMT 2023 , Edited by admin on Sat Dec 16 13:17:01 GMT 2023
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PUBCHEM
322477
Created by admin on Sat Dec 16 13:17:01 GMT 2023 , Edited by admin on Sat Dec 16 13:17:01 GMT 2023
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