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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9BrN4O2
Molecular Weight 297.108
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

SMILES

CC#CCN1C(Br)=NC2=C1C(=O)NC(=O)N2C

InChI

InChIKey=HFZOBQSHTNNKFY-UHFFFAOYSA-N
InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-
Preferred Name English
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
Systematic Name English
3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine
Systematic Name English
Code System Code Type Description
CAS
666816-98-4
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
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RS_ITEM_NUM
1A04880
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
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PUBCHEM
21088927
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
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EPA CompTox
DTXSID40610667
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
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FDA UNII
369GFU4R24
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
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