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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10ClN3O2S
Molecular Weight 307.755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(Cl)N=CN=C23

InChI

InChIKey=BTOJSYRZQZOMOK-UHFFFAOYSA-N
InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3

HIDE SMILES / InChI

Molecular Formula C13H10ClN3O2S
Molecular Weight 307.755
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 Sat Dec 16 20:02:31 GMT 2023
Edited
by admin
on Sat Dec 16 20:02:31 GMT 2023
Record UNII
9GB58L7D4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name English
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[(4-methylphenyl)sulfonyl]-
Systematic Name English
4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name English
4-Chloro-7-(4-methylphenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name English
Code System Code Type Description
CAS
479633-63-1
Created by admin on Sat Dec 16 20:02:31 GMT 2023 , Edited by admin on Sat Dec 16 20:02:31 GMT 2023
PRIMARY
PUBCHEM
44228967
Created by admin on Sat Dec 16 20:02:31 GMT 2023 , Edited by admin on Sat Dec 16 20:02:31 GMT 2023
PRIMARY
FDA UNII
9GB58L7D4M
Created by admin on Sat Dec 16 20:02:31 GMT 2023 , Edited by admin on Sat Dec 16 20:02:31 GMT 2023
PRIMARY