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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10N4O2
Molecular Weight 218.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-PROPARGYL 1,3-DIMETHYLXANTHINE

SMILES

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

InChI

InChIKey=DKHAOCKWCMAXNV-UHFFFAOYSA-N
InChI=1S/C10H10N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h1,6H,5H2,2-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
7-PROPARGYL 1,3-DIMETHYLXANTHINE
Systematic Name English
3,7-DIHYDRO-1,3-DIMETHYL-7-(2-PROPYN-1-YL)-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-PROPYNYL)-
Systematic Name English
THEOPHYLLINE, 7-(2-PROPYNYL)-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-PROPYN-1-YL)-
Systematic Name English
NSC-515504
Code English
Code System Code Type Description
EPA CompTox
DTXSID70161576
Created by admin on Sat Dec 16 12:55:08 GMT 2023 , Edited by admin on Sat Dec 16 12:55:08 GMT 2023
PRIMARY
CAS
14114-45-5
Created by admin on Sat Dec 16 12:55:08 GMT 2023 , Edited by admin on Sat Dec 16 12:55:08 GMT 2023
PRIMARY
NSC
515504
Created by admin on Sat Dec 16 12:55:08 GMT 2023 , Edited by admin on Sat Dec 16 12:55:08 GMT 2023
PRIMARY
PUBCHEM
101422
Created by admin on Sat Dec 16 12:55:08 GMT 2023 , Edited by admin on Sat Dec 16 12:55:08 GMT 2023
PRIMARY
FDA UNII
NV128EH6B5
Created by admin on Sat Dec 16 12:55:08 GMT 2023 , Edited by admin on Sat Dec 16 12:55:08 GMT 2023
PRIMARY