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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16N6O3
Molecular Weight 328.3259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[4-(dimethylamino)phenyl]-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

SMILES

CN(C)C1=CC=C(C=C1)C2=NN=C3N(C)C(=O)N(C)C(=O)C3=[N+]2[O-]

InChI

InChIKey=GZSGEODELWDDLE-UHFFFAOYSA-N
InChI=1S/C15H16N6O3/c1-18(2)10-7-5-9(6-8-10)12-16-17-13-11(21(12)24)14(22)20(4)15(23)19(13)3/h5-8H,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H16N6O3
Molecular Weight 328.3259
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 12:43:52 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:52 GMT 2023
Record UNII
UC8HXN2DJD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[4-(dimethylamino)phenyl]-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Systematic Name English
NSC-280307
Code English
Pyrimido[5,4-e]-1,2,4-triazine-5,7(6H,8H)-dione, 3-[4-(dimethylamino)phenyl]-6,8-dimethyl-, 4-oxide
Systematic Name English
Code System Code Type Description
NSC
280307
Created by admin on Sat Dec 16 12:43:52 GMT 2023 , Edited by admin on Sat Dec 16 12:43:52 GMT 2023
PRIMARY
FDA UNII
UC8HXN2DJD
Created by admin on Sat Dec 16 12:43:52 GMT 2023 , Edited by admin on Sat Dec 16 12:43:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID70208733
Created by admin on Sat Dec 16 12:43:52 GMT 2023 , Edited by admin on Sat Dec 16 12:43:52 GMT 2023
PRIMARY
PUBCHEM
467003
Created by admin on Sat Dec 16 12:43:52 GMT 2023 , Edited by admin on Sat Dec 16 12:43:52 GMT 2023
PRIMARY
CAS
60026-38-2
Created by admin on Sat Dec 16 12:43:52 GMT 2023 , Edited by admin on Sat Dec 16 12:43:52 GMT 2023
PRIMARY