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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2OS
Molecular Weight 248.344
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDRO-1-(4-HYDROXYPHENYL)-4,4,6-TRIMETHYL-2(1H)-PYRIMIDINETHIONE

SMILES

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

InChI

InChIKey=NGVQDEKDCXEEID-UHFFFAOYSA-N
InChI=1S/C13H16N2OS/c1-9-8-13(2,3)14-12(17)15(9)10-4-6-11(16)7-5-10/h4-8,16H,1-3H3,(H,14,17)

HIDE SMILES / InChI

Molecular Formula C13H16N2OS
Molecular Weight 248.344
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 12:56:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:44 GMT 2023
Record UNII
R5TLD12BCD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDRO-1-(4-HYDROXYPHENYL)-4,4,6-TRIMETHYL-2(1H)-PYRIMIDINETHIONE
Systematic Name English
2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-1-(P-HYDROXYPHENYL)-4,4,6-TRIMETHYL-
Systematic Name English
NSC-49827
Code English
2-PYRIMIDINETHIOL, 1,4-DIHYDRO-1-(P-HYDROXYPHENYL)-4,4,6-TRIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
746951
Created by admin on Sat Dec 16 12:56:44 GMT 2023 , Edited by admin on Sat Dec 16 12:56:44 GMT 2023
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FDA UNII
R5TLD12BCD
Created by admin on Sat Dec 16 12:56:44 GMT 2023 , Edited by admin on Sat Dec 16 12:56:44 GMT 2023
PRIMARY
CAS
37489-46-6
Created by admin on Sat Dec 16 12:56:44 GMT 2023 , Edited by admin on Sat Dec 16 12:56:44 GMT 2023
PRIMARY
NSC
49827
Created by admin on Sat Dec 16 12:56:44 GMT 2023 , Edited by admin on Sat Dec 16 12:56:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID80190938
Created by admin on Sat Dec 16 12:56:44 GMT 2023 , Edited by admin on Sat Dec 16 12:56:44 GMT 2023
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