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Details

Stereochemistry ACHIRAL
Molecular Formula C17H23N5O3
Molecular Weight 345.3962
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of trans-1-Methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]cyclohexanecarboxylic acid

SMILES

CO[C@]1(CC[C@@H](CC1)C2=NC(C)=CC(NC3=NNC(C)=C3)=N2)C(O)=O

InChI

InChIKey=QKVACMCXFIAPPC-QASKLWRZSA-N
InChI=1S/C17H23N5O3/c1-10-8-13(19-14-9-11(2)21-22-14)20-15(18-10)12-4-6-17(25-3,7-5-12)16(23)24/h8-9,12H,4-7H2,1-3H3,(H,23,24)(H2,18,19,20,21,22)/t12-,17-

HIDE SMILES / InChI

Molecular Formula C17H23N5O3
Molecular Weight 345.3962
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:12:55 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:55 GMT 2025
Record UNII
LF9W8A8GV6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
trans-1-Methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]cyclohexanecarboxylic acid
Systematic Name English
Cyclohexanecarboxylic acid, 1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, trans-
Preferred Name English
Code System Code Type Description
CAS
2778223-58-6
Created by admin on Wed Apr 02 20:12:55 GMT 2025 , Edited by admin on Wed Apr 02 20:12:55 GMT 2025
PRIMARY
FDA UNII
LF9W8A8GV6
Created by admin on Wed Apr 02 20:12:55 GMT 2025 , Edited by admin on Wed Apr 02 20:12:55 GMT 2025
PRIMARY