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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 8-ALLYLTHEOPHYLLINE

SMILES

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

InChI

InChIKey=SUFDPQNULQXJTM-UHFFFAOYSA-N
InChI=1S/C10H12N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4H,1,5H2,2-3H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-ALLYLTHEOPHYLLINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-(2-PROPEN-1-YL)-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-8-(2-PROPENYL)-
Systematic Name English
3,9-DIHYDRO-1,3-DIMETHYL-8-(2-PROPEN-1-YL)-1H-PURINE-2,6-DIONE
Systematic Name English
THEOPHYLLINE, 8-ALLYL-
Systematic Name English
NSC-14300
Code English
Code System Code Type Description
EPA CompTox
DTXSID70224933
Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023
PRIMARY
CAS
74039-62-6
Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023
PRIMARY
PUBCHEM
95031
Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023
PRIMARY
FDA UNII
JOJ1BV11GF
Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023
PRIMARY
NSC
14300
Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023
PRIMARY