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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N5
Molecular Weight 244.3155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of N-[(2E)-3-(Dimethylamino)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-propen-1-ylidene]-N-methylmethanaminium

SMILES

CN(C)\C=C(\C=[N+](C)C)C1=NC=NC2=C1C=CN2

InChI

InChIKey=GUMGBKHXTVFNST-UHFFFAOYSA-N
InChI=1S/C13H18N5/c1-17(2)7-10(8-18(3)4)12-11-5-6-14-13(11)16-9-15-12/h5-9H,1-4H3,(H,14,15,16)/q+1

HIDE SMILES / InChI

Molecular Formula C13H18N5
Molecular Weight 244.3155
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:43:18 GMT 2025
Edited
by admin
on Wed Apr 02 19:43:18 GMT 2025
Record UNII
5XWD9EL6UJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methanaminium, N-[(2E)-3-(dimethylamino)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-propen-1-ylidene]-N-methyl-
Preferred Name English
N-[(2E)-3-(Dimethylamino)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-propen-1-ylidene]-N-methylmethanaminium
Systematic Name English
Code System Code Type Description
FDA UNII
5XWD9EL6UJ
Created by admin on Wed Apr 02 19:43:18 GMT 2025 , Edited by admin on Wed Apr 02 19:43:18 GMT 2025
PRIMARY
CAS
2761879-25-6
Created by admin on Wed Apr 02 19:43:18 GMT 2025 , Edited by admin on Wed Apr 02 19:43:18 GMT 2025
PRIMARY
PUBCHEM
162735288
Created by admin on Wed Apr 02 19:43:18 GMT 2025 , Edited by admin on Wed Apr 02 19:43:18 GMT 2025
PRIMARY