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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LF9W8A8GV6
Record Status Validated (UNII)
Record Version