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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13Cl2N5O2S
Molecular Weight 410.278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro dasatinib

SMILES

CC1=NC(Cl)=CC(NC2=NC=C(S2)C(=O)NC3=C(CO)C=CC=C3Cl)=N1

InChI

InChIKey=IFQFVJBGDUJCSG-UHFFFAOYSA-N
InChI=1S/C16H13Cl2N5O2S/c1-8-20-12(18)5-13(21-8)22-16-19-6-11(26-16)15(25)23-14-9(7-24)3-2-4-10(14)17/h2-6,24H,7H2,1H3,(H,23,25)(H,19,20,21,22)

HIDE SMILES / InChI

Molecular Formula C16H13Cl2N5O2S
Molecular Weight 410.278
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 20:22:43 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:43 GMT 2023
Record UNII
3B3P7KR7E9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro dasatinib
Common Name English
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-[2-chloro-6-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
Systematic Name English
N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
Systematic Name English
5-Thiazolecarboxamide, N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-
Systematic Name English
Code System Code Type Description
FDA UNII
3B3P7KR7E9
Created by admin on Sat Dec 16 20:22:43 GMT 2023 , Edited by admin on Sat Dec 16 20:22:43 GMT 2023
PRIMARY
CAS
910297-71-1
Created by admin on Sat Dec 16 20:22:43 GMT 2023 , Edited by admin on Sat Dec 16 20:22:43 GMT 2023
PRIMARY
PUBCHEM
25022897
Created by admin on Sat Dec 16 20:22:43 GMT 2023 , Edited by admin on Sat Dec 16 20:22:43 GMT 2023
PRIMARY