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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15ClN2S
Molecular Weight 266.79
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-Chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione

SMILES

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

InChI

InChIKey=HSKCSMAIVPLPLJ-UHFFFAOYSA-N
InChI=1S/C13H15ClN2S/c1-9-8-13(2,3)15-12(17)16(9)11-6-4-5-10(14)7-11/h4-8H,1-3H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula C13H15ClN2S
Molecular Weight 266.79
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 13:07:44 GMT 2023
Edited
by admin
on Sat Dec 16 13:07:44 GMT 2023
Record UNII
PVM4868PRC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-Chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione
Systematic Name English
NSC-49828
Code English
2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
Systematic Name English
2(1H)-Pyrimidinethione, 1-(3-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
683388
Created by admin on Sat Dec 16 13:07:44 GMT 2023 , Edited by admin on Sat Dec 16 13:07:44 GMT 2023
PRIMARY
NSC
49828
Created by admin on Sat Dec 16 13:07:44 GMT 2023 , Edited by admin on Sat Dec 16 13:07:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID50190940
Created by admin on Sat Dec 16 13:07:44 GMT 2023 , Edited by admin on Sat Dec 16 13:07:44 GMT 2023
PRIMARY
CAS
37489-49-9
Created by admin on Sat Dec 16 13:07:44 GMT 2023 , Edited by admin on Sat Dec 16 13:07:44 GMT 2023
PRIMARY
FDA UNII
PVM4868PRC
Created by admin on Sat Dec 16 13:07:44 GMT 2023 , Edited by admin on Sat Dec 16 13:07:44 GMT 2023
PRIMARY