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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N2S
Molecular Weight 246.371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC1=CC(=CC=C1)N2C(=S)NC(C)(C)C=C2C

InChI

InChIKey=POYSSAUIZAGEPU-UHFFFAOYSA-N
InChI=1S/C14H18N2S/c1-10-6-5-7-12(8-10)16-11(2)9-14(3,4)15-13(16)17/h5-9H,1-4H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula C14H18N2S
Molecular Weight 246.371
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 13:06:51 GMT 2023
Edited
by admin
on Sat Dec 16 13:06:51 GMT 2023
Record UNII
85VCJ0L4UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDRO-4,4,6-TRIMETHYL-1-(3-METHYLPHENYL)-2(1H)-PYRIMIDINETHIONE
Systematic Name English
NSC-49824
Code English
2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-4,4,6-TRIMETHYL-1-(3-METHYLPHENYL)-
Systematic Name English
4,4,6-TRIMETHYL-1-(3-METHYLPHENYL)-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE
Systematic Name English
2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-4,4,6-TRIMETHYL-1-M-TOLYL-
Systematic Name English
2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-4,4,6-TRIMETHYL-1-(M-TOLYL)-
Systematic Name English
Code System Code Type Description
CAS
37489-45-5
Created by admin on Sat Dec 16 13:06:51 GMT 2023 , Edited by admin on Sat Dec 16 13:06:51 GMT 2023
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EPA CompTox
DTXSID20190937
Created by admin on Sat Dec 16 13:06:51 GMT 2023 , Edited by admin on Sat Dec 16 13:06:51 GMT 2023
PRIMARY
NSC
49824
Created by admin on Sat Dec 16 13:06:51 GMT 2023 , Edited by admin on Sat Dec 16 13:06:51 GMT 2023
PRIMARY
PUBCHEM
748441
Created by admin on Sat Dec 16 13:06:51 GMT 2023 , Edited by admin on Sat Dec 16 13:06:51 GMT 2023
PRIMARY
FDA UNII
85VCJ0L4UM
Created by admin on Sat Dec 16 13:06:51 GMT 2023 , Edited by admin on Sat Dec 16 13:06:51 GMT 2023
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