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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14N4O2
Molecular Weight 306.3187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOIC ACID

SMILES

CC1=C(NC2=NC(=CC=N2)C3=CN=CC=C3)C=C(C=C1)C(O)=O

InChI

InChIKey=LDLZPHLSVKGFSC-UHFFFAOYSA-N
InChI=1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C17H14N4O2
Molecular Weight 306.3187
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 Mon Mar 31 21:48:42 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:42 GMT 2025
Record UNII
TQ9WCS4PF0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-
Preferred Name English
4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOIC ACID
Systematic Name English
4-METHYL-3-((4-(3-PYRIDYL)PYRIMIDIN-2-YL)AMINO)BENZOIC ACID
Systematic Name English
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
P20
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90439380
Created by admin on Mon Mar 31 21:48:42 GMT 2025 , Edited by admin on Mon Mar 31 21:48:42 GMT 2025
PRIMARY
PUBCHEM
10402880
Created by admin on Mon Mar 31 21:48:42 GMT 2025 , Edited by admin on Mon Mar 31 21:48:42 GMT 2025
PRIMARY
FDA UNII
TQ9WCS4PF0
Created by admin on Mon Mar 31 21:48:42 GMT 2025 , Edited by admin on Mon Mar 31 21:48:42 GMT 2025
PRIMARY
CAS
641569-94-0
Created by admin on Mon Mar 31 21:48:42 GMT 2025 , Edited by admin on Mon Mar 31 21:48:42 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP