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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28N4S2
Molecular Weight 400.604
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(4-METHYL-1,3-PHENYLENE)BIS(3,4-DIHYDRO-4,4,6-TRIMETHYL-2(1H)-PYRIMIDINETHIONE

SMILES

CC1=CC(C)(C)NC(=S)N1C2=CC(N3C(=S)NC(C)(C)C=C3C)=C(C)C=C2

InChI

InChIKey=SZZSATMQRKDUGK-UHFFFAOYSA-N
InChI=1S/C21H28N4S2/c1-13-8-9-16(24-14(2)11-20(4,5)22-18(24)26)10-17(13)25-15(3)12-21(6,7)23-19(25)27/h8-12H,1-7H3,(H,22,26)(H,23,27)

HIDE SMILES / InChI

Molecular Formula C21H28N4S2
Molecular Weight 400.604
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 20:12:45 GMT 2025
Edited
by admin
on Tue Apr 01 20:12:45 GMT 2025
Record UNII
QU295S6WB5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-(4-METHYL-1,3-PHENYLENE)BIS(3,4-DIHYDRO-4,4,6-TRIMETHYL-2(1H)-PYRIMIDINETHIONE
Systematic Name English
NSC-49836
Preferred Name English
2(1H)-PYRIMIDINETHIONE, 1,1'-(4-METHYL-1,3-PHENYLENE)BIS(3,4-DIHYDRO-4,4,6-TRIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
63690-23-3
Created by admin on Tue Apr 01 20:12:45 GMT 2025 , Edited by admin on Tue Apr 01 20:12:45 GMT 2025
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FDA UNII
QU295S6WB5
Created by admin on Tue Apr 01 20:12:45 GMT 2025 , Edited by admin on Tue Apr 01 20:12:45 GMT 2025
PRIMARY
NSC
49836
Created by admin on Tue Apr 01 20:12:45 GMT 2025 , Edited by admin on Tue Apr 01 20:12:45 GMT 2025
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PUBCHEM
3003765
Created by admin on Tue Apr 01 20:12:45 GMT 2025 , Edited by admin on Tue Apr 01 20:12:45 GMT 2025
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EPA CompTox
DTXSID00213092
Created by admin on Tue Apr 01 20:12:45 GMT 2025 , Edited by admin on Tue Apr 01 20:12:45 GMT 2025
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