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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22N4O5
Molecular Weight 386.4018
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TMSX

SMILES

COC1=CC(\C=C\C2=NC3=C(N2C)C(=O)N(C)C(=O)N3C)=CC(OC)=C1OC

InChI

InChIKey=KIAYWZXEAJWSGJ-BQYQJAHWSA-N
InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C19H22N4O5
Molecular Weight 386.4018
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:16:46 GMT 2023
Edited
by admin
on Sat Dec 16 18:16:46 GMT 2023
Record UNII
66RXC4F99D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TMSX
Common Name English
3,7-DIHYDRO-1,3,7-TRIMETHYL-8-(2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-1H-PURINE-2,6-DIONE
Systematic Name English
8-(3,4,5-TRIMETHOXYSTYRYL)-1,3,7-TRIMETHYLXANTHINE
Common Name English
KF-18446
Code English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-8-((1E)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-
Systematic Name English
3,7-DIHYDRO-1,3,7-TRIMETHYL-8-((1E)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
CAS
31377-36-3
Created by admin on Sat Dec 16 18:16:46 GMT 2023 , Edited by admin on Sat Dec 16 18:16:46 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
51389-37-8
Created by admin on Sat Dec 16 18:16:46 GMT 2023 , Edited by admin on Sat Dec 16 18:16:46 GMT 2023
PRIMARY
FDA UNII
66RXC4F99D
Created by admin on Sat Dec 16 18:16:46 GMT 2023 , Edited by admin on Sat Dec 16 18:16:46 GMT 2023
PRIMARY
PUBCHEM
6445882
Created by admin on Sat Dec 16 18:16:46 GMT 2023 , Edited by admin on Sat Dec 16 18:16:46 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED