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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25N5O3
Molecular Weight 359.4228
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OUAPGTCAGWBGJT-KTXOBNNYSA-N
InChI=1S/C18H25N5O3/c1-11-9-14(20-15-10-12(2)22-23-15)21-16(19-11)13-5-7-18(26-4,8-6-13)17(24)25-3/h9-10,13H,5-8H2,1-4H3,(H2,19,20,21,22,23)/t13-,18-

HIDE SMILES / InChI

Molecular Formula C18H25N5O3
Molecular Weight 359.4228
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 20:33:27 GMT 2025
Edited
by admin
on Wed Apr 02 20:33:27 GMT 2025
Record UNII
Q4N3YU7ZEW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl trans-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]cyclohexanecarboxylate
Systematic Name English
Cyclohexanecarboxylic acid, 1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, methyl ester, trans-
Preferred Name English
Code System Code Type Description
FDA UNII
Q4N3YU7ZEW
Created by admin on Wed Apr 02 20:33:27 GMT 2025 , Edited by admin on Wed Apr 02 20:33:27 GMT 2025
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CAS
2757957-10-9
Created by admin on Wed Apr 02 20:33:27 GMT 2025 , Edited by admin on Wed Apr 02 20:33:27 GMT 2025
PRIMARY