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

Details

Stereochemistry RACEMIC
Molecular Formula C10H13ClN4O2
Molecular Weight 256.689
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(Cl)CN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=YAPLUWBOORSOHV-UHFFFAOYSA-N
InChI=1S/C10H13ClN4O2/c1-6(11)4-15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5-6H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H13ClN4O2
Molecular Weight 256.689
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:17:00 GMT 2025
Edited
by admin
on Wed Apr 02 09:17:00 GMT 2025
Record UNII
KS2M6V7XFK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 7-(2-chloropropyl)-3,7-dihydro-1,3-dimethyl-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID30940829
Created by admin on Wed Apr 02 09:17:00 GMT 2025 , Edited by admin on Wed Apr 02 09:17:00 GMT 2025
PRIMARY
PUBCHEM
102713
Created by admin on Wed Apr 02 09:17:00 GMT 2025 , Edited by admin on Wed Apr 02 09:17:00 GMT 2025
PRIMARY
CAS
1919-38-6
Created by admin on Wed Apr 02 09:17:00 GMT 2025 , Edited by admin on Wed Apr 02 09:17:00 GMT 2025
PRIMARY
FDA UNII
KS2M6V7XFK
Created by admin on Wed Apr 02 09:17:00 GMT 2025 , Edited by admin on Wed Apr 02 09:17:00 GMT 2025
PRIMARY