U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=CC4=C(OCO4)C=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 Sat Dec 16 12:40:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:35 GMT 2023
Record UNII
SCC7A7FS0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1,3-BENZODIOXOL-5-YL)-1,6-DIMETHYLPYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE
Systematic Name English
NSC-280175
Code 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 Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
NSC
280175
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
FDA UNII
SCC7A7FS0B
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
PUBCHEM
322479
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
CAS
52199-05-0
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY