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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13Cl2N3O2
Molecular Weight 302.157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

SMILES

CC(C)(C)C(=O)OCN1C=CC2=C1N=C(Cl)N=C2Cl

InChI

InChIKey=LXGGFKUNPSZFOR-UHFFFAOYSA-N
InChI=1S/C12H13Cl2N3O2/c1-12(2,3)10(18)19-6-17-5-4-7-8(13)15-11(14)16-9(7)17/h4-5H,6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H13Cl2N3O2
Molecular Weight 302.157
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:22:17 GMT 2025
Edited
by admin
on Wed Apr 02 21:22:17 GMT 2025
Record UNII
YWV62NP2JU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate
Preferred Name English
(2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
Systematic Name English
Propanoic acid, 2,2-dimethyl-, (2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl ester
Systematic Name English
Code System Code Type Description
CAS
1643967-75-2
Created by admin on Wed Apr 02 21:22:17 GMT 2025 , Edited by admin on Wed Apr 02 21:22:17 GMT 2025
PRIMARY
PUBCHEM
118060819
Created by admin on Wed Apr 02 21:22:17 GMT 2025 , Edited by admin on Wed Apr 02 21:22:17 GMT 2025
PRIMARY
FDA UNII
YWV62NP2JU
Created by admin on Wed Apr 02 21:22:17 GMT 2025 , Edited by admin on Wed Apr 02 21:22:17 GMT 2025
PRIMARY