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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N3S
Molecular Weight 227.285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine

SMILES

N1C=CC2=C1N=CN=C2SC3=CC=CC=C3

InChI

InChIKey=TUBUPSQEQADRHY-UHFFFAOYSA-N
InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h1-8H,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C12H9N3S
Molecular Weight 227.285
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 06:49:28 GMT 2025
Edited
by admin
on Wed Apr 02 06:49:28 GMT 2025
Record UNII
6L66AL5UMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name English
4-(Phenylthio)-7H-pyrrolo[2,3-d]pyrimidine
Preferred Name English
7H-Pyrrolo[2,3-d]pyrimidine, 4-(phenylthio)-
Systematic Name English
4-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name English
Code System Code Type Description
FDA UNII
6L66AL5UMJ
Created by admin on Wed Apr 02 06:49:28 GMT 2025 , Edited by admin on Wed Apr 02 06:49:28 GMT 2025
PRIMARY
PUBCHEM
11481564
Created by admin on Wed Apr 02 06:49:28 GMT 2025 , Edited by admin on Wed Apr 02 06:49:28 GMT 2025
PRIMARY
CAS
736142-84-0
Created by admin on Wed Apr 02 06:49:28 GMT 2025 , Edited by admin on Wed Apr 02 06:49:28 GMT 2025
PRIMARY