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Details

Stereochemistry ACHIRAL
Molecular Formula C15H9Cl2N2O3S.Na
Molecular Weight 391.204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-(3,4-DICHLOROBENZYL)-5-METHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDINE-6-CARBOXYLATE

SMILES

[Na+].CC1=C(SC2=C1C(=O)N=C(CC3=CC(Cl)=C(Cl)C=C3)N2)C([O-])=O

InChI

InChIKey=RJIOLXBAHFPELT-UHFFFAOYSA-M
InChI=1S/C15H10Cl2N2O3S.Na/c1-6-11-13(20)18-10(19-14(11)23-12(6)15(21)22)5-7-2-3-8(16)9(17)4-7;/h2-4H,5H2,1H3,(H,21,22)(H,18,19,20);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
THIENO(2,3-D)PYRIMIDINE-6-CARBOXYLIC ACID, 2-((3,4-DICHLOROPHENYL)METHYL)-1,4-DIHYDRO-5-METHYL-4-OXO-, SODIUM SALT (1:1)
Preferred Name English
SODIUM 2-(3,4-DICHLOROBENZYL)-5-METHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDINE-6-CARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
XI0J29LT6T
Created by admin on Tue Apr 01 22:50:56 GMT 2025 , Edited by admin on Tue Apr 01 22:50:56 GMT 2025
PRIMARY
CAS
917089-11-3
Created by admin on Tue Apr 01 22:50:56 GMT 2025 , Edited by admin on Tue Apr 01 22:50:56 GMT 2025
PRIMARY
PUBCHEM
57821272
Created by admin on Tue Apr 01 22:50:56 GMT 2025 , Edited by admin on Tue Apr 01 22:50:56 GMT 2025
PRIMARY
NIH
NCATS
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