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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16N2O2S
Molecular Weight 276.354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-

SMILES

CC1=CC(C)(C)NC(=S)N1C2=CC=C(C=C2)C(O)=O

InChI

InChIKey=ZYEUCFNXDKQSOD-UHFFFAOYSA-N
InChI=1S/C14H16N2O2S/c1-9-8-14(2,3)15-13(19)16(9)11-6-4-10(5-7-11)12(17)18/h4-8H,1-3H3,(H,15,19)(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H16N2O2S
Molecular Weight 276.354
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 12:37:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:57 GMT 2023
Record UNII
F837FQH73T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
Systematic Name English
1,4-Dihydro-4,4,6-trimethyl-1-(4-carboxyphenyl)-pyrimidine-2-thiol
Systematic Name English
4-(3,4-Dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)benzoic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9071050
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
268-349-3
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
PRIMARY
FDA UNII
F837FQH73T
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
PRIMARY
PUBCHEM
3034781
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
PRIMARY
CAS
68072-55-9
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
PRIMARY