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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9ClN2O2S
Molecular Weight 280.73
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-MERCAPTO-5-(4-CHLOROBENZYL)OROTIC ALDEHYDE

SMILES

ClC1=CC=C(CC2=C(NC(=S)NC2=O)C=O)C=C1

InChI

InChIKey=GUCOWSINRDIVPU-UHFFFAOYSA-N
InChI=1S/C12H9ClN2O2S/c13-8-3-1-7(2-4-8)5-9-10(6-16)14-12(18)15-11(9)17/h1-4,6H,5H2,(H2,14,15,17,18)

HIDE SMILES / InChI

Molecular Formula C12H9ClN2O2S
Molecular Weight 280.73
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 12:57:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:39 GMT 2023
Record UNII
U4R6BD44QH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-MERCAPTO-5-(4-CHLOROBENZYL)OROTIC ALDEHYDE
Common Name English
4-PYRIMIDINECARBOXALDEHYDE, 5-((4-CHLOROPHENYL)METHYL)-1,2,3,6-TETRAHYDRO-6-OXO-2-THIOXO-
Systematic Name English
5-((4-CHLOROPHENYL)METHYL)-1,2,3,6-TETRAHYDRO-6-OXO-2-THIOXO-4-PYRIMIDINECARBOXALDEHYDE
Systematic Name English
NSC-123890
Code English
Code System Code Type Description
CAS
31349-81-2
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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EPA CompTox
DTXSID90185274
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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NSC
123890
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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FDA UNII
U4R6BD44QH
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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PUBCHEM
3034564
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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