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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21FN8O2
Molecular Weight 436.4422
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl N-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-6-(methylamino)pyrimidin-5-yl]-N-methylcarbamate

SMILES

CNC1=NC(=NC(N)=C1N(C)C(=O)OC)C2=NN(CC3=CC=CC=C3F)C4=C2C=CC=N4

InChI

InChIKey=OBWMMEFKCYXMKF-UHFFFAOYSA-N
InChI=1S/C21H21FN8O2/c1-24-19-16(29(2)21(31)32-3)17(23)26-18(27-19)15-13-8-6-10-25-20(13)30(28-15)11-12-7-4-5-9-14(12)22/h4-10H,11H2,1-3H3,(H3,23,24,26,27)

HIDE SMILES / InChI

Molecular Formula C21H21FN8O2
Molecular Weight 436.4422
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
JFS9M6N2AQ
Record Status Validated (UNII)
Record Version