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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N4O2
Molecular Weight 234.2545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DIHYDRO-3,7-DIMETHYL-1-(2-METHYL-2-PROPEN-1-YL)-1H-PURINE-2,6-DIONE

SMILES

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

InChI

InChIKey=DMWQAGFXWKNDBE-UHFFFAOYSA-N
InChI=1S/C11H14N4O2/c1-7(2)5-15-10(16)8-9(12-6-13(8)3)14(4)11(15)17/h6H,1,5H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C11H14N4O2
Molecular Weight 234.2545
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 13:16:00 GMT 2023
Edited
by admin
on Sat Dec 16 13:16:00 GMT 2023
Record UNII
XH3YQG3UJ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-DIHYDRO-3,7-DIMETHYL-1-(2-METHYL-2-PROPEN-1-YL)-1H-PURINE-2,6-DIONE
Systematic Name English
NSC-74796
Code English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-(2-METHYL-2-PROPENYL)-
Systematic Name English
THEOBROMINE, 1-(2'-METHYLALLYL)-
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-(2-METHYL-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
63906-62-7
Created by admin on Sat Dec 16 13:16:00 GMT 2023 , Edited by admin on Sat Dec 16 13:16:00 GMT 2023
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PUBCHEM
96449
Created by admin on Sat Dec 16 13:16:00 GMT 2023 , Edited by admin on Sat Dec 16 13:16:00 GMT 2023
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EPA CompTox
DTXSID60213578
Created by admin on Sat Dec 16 13:16:00 GMT 2023 , Edited by admin on Sat Dec 16 13:16:00 GMT 2023
PRIMARY
FDA UNII
XH3YQG3UJ1
Created by admin on Sat Dec 16 13:16:00 GMT 2023 , Edited by admin on Sat Dec 16 13:16:00 GMT 2023
PRIMARY
NSC
74796
Created by admin on Sat Dec 16 13:16:00 GMT 2023 , Edited by admin on Sat Dec 16 13:16:00 GMT 2023
PRIMARY