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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6N2O3S
Molecular Weight 222.221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4-TETRAHYDRO-4-OXO-2-THIOXOQUINAZOLINE-6-CARBOXYLIC ACID

SMILES

OC(=O)C1=CC2=C(NC(=S)NC2=O)C=C1

InChI

InChIKey=JUEVRDXLTGJBSO-UHFFFAOYSA-N
InChI=1S/C9H6N2O3S/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)

HIDE SMILES / InChI

Molecular Formula C9H6N2O3S
Molecular Weight 222.221
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 17:53:57 GMT 2025
Edited
by admin
on Tue Apr 01 17:53:57 GMT 2025
Record UNII
B3L8RM54QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,4-TETRAHYDRO-4-OXO-2-THIOXO-6-QUINAZOLINECARBOXYLIC ACID
Preferred Name English
1,2,3,4-TETRAHYDRO-4-OXO-2-THIOXOQUINAZOLINE-6-CARBOXYLIC ACID
Systematic Name English
4-OXO-2-SULFANYLIDENE-1H-QUINAZOLINE-6-CARBOXYLIC ACID
Systematic Name English
6-QUINAZOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-4-OXO-2-THIOXO-
Systematic Name English
Code System Code Type Description
FDA UNII
B3L8RM54QJ
Created by admin on Tue Apr 01 17:53:57 GMT 2025 , Edited by admin on Tue Apr 01 17:53:57 GMT 2025
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EPA CompTox
DTXSID70187897
Created by admin on Tue Apr 01 17:53:57 GMT 2025 , Edited by admin on Tue Apr 01 17:53:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
251-941-0
Created by admin on Tue Apr 01 17:53:57 GMT 2025 , Edited by admin on Tue Apr 01 17:53:57 GMT 2025
PRIMARY
PUBCHEM
3035182
Created by admin on Tue Apr 01 17:53:57 GMT 2025 , Edited by admin on Tue Apr 01 17:53:57 GMT 2025
PRIMARY
CAS
34330-02-4
Created by admin on Tue Apr 01 17:53:57 GMT 2025 , Edited by admin on Tue Apr 01 17:53:57 GMT 2025
PRIMARY