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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N4O2
Molecular Weight 220.2279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-ALLYLTHEOPHYLLINE

SMILES

CN1C2=C(N(CC=C)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=ZGIBYCLLIMGXEZ-UHFFFAOYSA-N
InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3

HIDE SMILES / InChI

Molecular Formula C10H12N4O2
Molecular Weight 220.2279
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 Fri Dec 15 18:32:03 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:03 GMT 2023
Record UNII
NC789Z71XR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-ALLYLTHEOPHYLLINE
Systematic Name English
NSC-521015
Code English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-PROPENYL)-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-PROPEN-1-YL)-
Systematic Name English
N7-ALLYLTHEOPHYLLINE
Systematic Name English
THEOPHYLLINE, 7-ALLYL-
Systematic Name English
7-ALLYL-1,3-DIMETHYLXANTHINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20977008
Created by admin on Fri Dec 15 18:32:03 GMT 2023 , Edited by admin on Fri Dec 15 18:32:03 GMT 2023
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NSC
521015
Created by admin on Fri Dec 15 18:32:03 GMT 2023 , Edited by admin on Fri Dec 15 18:32:03 GMT 2023
PRIMARY
PUBCHEM
101446
Created by admin on Fri Dec 15 18:32:03 GMT 2023 , Edited by admin on Fri Dec 15 18:32:03 GMT 2023
PRIMARY
FDA UNII
NC789Z71XR
Created by admin on Fri Dec 15 18:32:03 GMT 2023 , Edited by admin on Fri Dec 15 18:32:03 GMT 2023
PRIMARY
CAS
61444-26-6
Created by admin on Fri Dec 15 18:32:03 GMT 2023 , Edited by admin on Fri Dec 15 18:32:03 GMT 2023
PRIMARY