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Details

Stereochemistry RACEMIC
Molecular Formula C8H12N4O3
Molecular Weight 212.2059
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,7-TRIMETHYLDIHYDROURIC ACID

SMILES

CN1C(O)NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=LSSRXYJELYKXQJ-UHFFFAOYSA-N
InChI=1S/C8H12N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h7,9,14H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3,7-TRIMETHYLDIHYDROURIC ACID
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7,8,9-TETRAHYDRO-8-HYDROXY-1,3,7-TRIMETHYL-
Systematic Name English
TRIMETHYLDIHYDROURIC ACID
Systematic Name English
3,7,8,9-TETRAHYDRO-8-HYDROXY-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
CAS
43146-65-2
Created by admin on Sat Dec 16 11:26:12 GMT 2023 , Edited by admin on Sat Dec 16 11:26:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID70962924
Created by admin on Sat Dec 16 11:26:12 GMT 2023 , Edited by admin on Sat Dec 16 11:26:12 GMT 2023
PRIMARY
PUBCHEM
193828
Created by admin on Sat Dec 16 11:26:12 GMT 2023 , Edited by admin on Sat Dec 16 11:26:12 GMT 2023
PRIMARY
FDA UNII
K86MC6T4A9
Created by admin on Sat Dec 16 11:26:12 GMT 2023 , Edited by admin on Sat Dec 16 11:26:12 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of CAFFEINE
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