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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N4O2
Molecular Weight 274.3183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(1-CYCLOHEXEN-1-YLMETHYL)-THEOPHYLLINE

SMILES

CN1C2=C(N=C(CC3=CCCCC3)N2)C(=O)N(C)C1=O

InChI

InChIKey=VVXQBRAMOXSDLG-UHFFFAOYSA-N
InChI=1S/C14H18N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h6H,3-5,7-8H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(1-CYCLOHEXEN-1-YLMETHYL)-THEOPHYLLINE
Systematic Name English
1H-PURINE-2,6-DIONE, 8-(1-CYCLOHEXEN-1-YLMETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 8-(1-CYCLOHEXEN-1-YLMETHYL)-3,9-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
NSC-106216
Code English
Code System Code Type Description
CAS
74039-69-3
Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023
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FDA UNII
CFO172OCE3
Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID50224936
Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023
PRIMARY
NSC
106216
Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023
PRIMARY
PUBCHEM
97208
Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023
PRIMARY