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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H13N7O2
Molecular Weight 311.2987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(3,4-DIMETHOXYPHENYL)-5-METHYLTETRAAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINE

SMILES

COC1=CC=C(C=C1OC)C2=NN=C3C=C(C)N4N=NN=C4N23

InChI

InChIKey=AFWDKJKFYMWJFT-UHFFFAOYSA-N
InChI=1S/C14H13N7O2/c1-8-6-12-15-16-13(20(12)14-17-18-19-21(8)14)9-4-5-10(22-2)11(7-9)23-3/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H13N7O2
Molecular Weight 311.2987
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 19:50:03 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:03 GMT 2025
Record UNII
R5B19Q5RWZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(3,4-DIMETHOXYPHENYL)-5-METHYLTETRAAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINE
Systematic Name English
NSC-349636
Preferred Name English
9-(3,4-DIMETHOXYPHENYL)-5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINE
Systematic Name English
TETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINE, 9-(3,4-DIMETHOXYPHENYL)-5-METHYL-
Systematic Name English
Code System Code Type Description
NSC
349636
Created by admin on Tue Apr 01 19:50:03 GMT 2025 , Edited by admin on Tue Apr 01 19:50:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID20217779
Created by admin on Tue Apr 01 19:50:03 GMT 2025 , Edited by admin on Tue Apr 01 19:50:03 GMT 2025
PRIMARY
FDA UNII
R5B19Q5RWZ
Created by admin on Tue Apr 01 19:50:03 GMT 2025 , Edited by admin on Tue Apr 01 19:50:03 GMT 2025
PRIMARY
CAS
67433-62-9
Created by admin on Tue Apr 01 19:50:03 GMT 2025 , Edited by admin on Tue Apr 01 19:50:03 GMT 2025
PRIMARY
PUBCHEM
336209
Created by admin on Tue Apr 01 19:50:03 GMT 2025 , Edited by admin on Tue Apr 01 19:50:03 GMT 2025
PRIMARY