U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H22N4O2
Molecular Weight 290.3608
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(2-CYCLOHEXYLETHYL)-THEOPHYLLINE

SMILES

CN1C2=C(N=C(CCC3CCCCC3)N2)C(=O)N(C)C1=O

InChI

InChIKey=VKORYKNVGDXUOK-UHFFFAOYSA-N
InChI=1S/C15H22N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(2-CYCLOHEXYLETHYL)-THEOPHYLLINE
Systematic Name English
1H-PURINE-2,6-DIONE, 8-(2-CYCLOHEXYLETHYL)-3,9-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
NSC-14399
Code English
Code System Code Type Description
EPA CompTox
DTXSID20202620
Created by admin on Sat Dec 16 12:42:42 GMT 2023 , Edited by admin on Sat Dec 16 12:42:42 GMT 2023
PRIMARY
CAS
5426-90-4
Created by admin on Sat Dec 16 12:42:42 GMT 2023 , Edited by admin on Sat Dec 16 12:42:42 GMT 2023
PRIMARY
FDA UNII
F1IYT4T0UG
Created by admin on Sat Dec 16 12:42:42 GMT 2023 , Edited by admin on Sat Dec 16 12:42:42 GMT 2023
PRIMARY
PUBCHEM
95037
Created by admin on Sat Dec 16 12:42:42 GMT 2023 , Edited by admin on Sat Dec 16 12:42:42 GMT 2023
PRIMARY
NSC
14399
Created by admin on Sat Dec 16 12:42:42 GMT 2023 , Edited by admin on Sat Dec 16 12:42:42 GMT 2023
PRIMARY