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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H19N5O2
Molecular Weight 313.3544
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-(Benzylamino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

SMILES

CN1C2=C(N(CCNCC3=CC=CC=C3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=YYJAAIPVBNSAGS-UHFFFAOYSA-N
InChI=1S/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
7-(2-(Benzylamino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Systematic Name English
7-(2-Benzylaminoethyl)theophylline
Systematic Name English
Theophylline, 7-[2-(benzylamino)ethyl]-
Systematic Name English
3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
245-155-7
Created by admin on Sat Dec 16 12:00:47 GMT 2023 , Edited by admin on Sat Dec 16 12:00:47 GMT 2023
PRIMARY
CAS
22680-61-1
Created by admin on Sat Dec 16 12:00:47 GMT 2023 , Edited by admin on Sat Dec 16 12:00:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID70177213
Created by admin on Sat Dec 16 12:00:47 GMT 2023 , Edited by admin on Sat Dec 16 12:00:47 GMT 2023
PRIMARY
PUBCHEM
89791
Created by admin on Sat Dec 16 12:00:47 GMT 2023 , Edited by admin on Sat Dec 16 12:00:47 GMT 2023
PRIMARY
FDA UNII
5MKT785NW7
Created by admin on Sat Dec 16 12:00:47 GMT 2023 , Edited by admin on Sat Dec 16 12:00:47 GMT 2023
PRIMARY