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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13N3O2S
Molecular Weight 275.326
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIMETHYLAMINOBENZYLIDENE-2-THIOBARBITURIC ACID

SMILES

CN(C)C1=CC=C(C=C2C(=O)NC(=S)NC2=O)C=C1

InChI

InChIKey=UOUVLKPLCQPNES-UHFFFAOYSA-N
InChI=1S/C13H13N3O2S/c1-16(2)9-5-3-8(4-6-9)7-10-11(17)14-13(19)15-12(10)18/h3-7H,1-2H3,(H2,14,15,17,18,19)

HIDE SMILES / InChI

Molecular Formula C13H13N3O2S
Molecular Weight 275.326
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 20:03:51 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:51 GMT 2025
Record UNII
RTU8Z2WNX3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIMETHYLAMINOBENZYLIDENE-2-THIOBARBITURIC ACID
Systematic Name English
NSC-90755
Preferred Name English
BARBITURIC ACID, 5-(P-(DIMETHYLAMINO)BENZYLIDENE)-2-THIO-
Systematic Name English
5-(4-(DIMETHYLAMINO)BENZYLIDENE)THIOBARBITURIC ACID
Systematic Name English
5-P-DIMETHYLAMINOBENZYLIDENE-2-THIOBARBITURIC ACID
Systematic Name English
4,6(1H,5H)-PYRIMIDINEDIONE, 5-((4-(DIMETHYLAMINO)PHENYL)METHYLENE)DIHYDRO-2-THIOXO-
Systematic Name English
5-((4-(DIMETHYLAMINO)PHENYL)METHYLENE)DIHYDRO-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40181847
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
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CAS
27430-15-5
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
PRIMARY
PUBCHEM
727443
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
PRIMARY
FDA UNII
RTU8Z2WNX3
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
PRIMARY
NSC
90755
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
PRIMARY