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Reference substances

Reference substances

IUPAC name:
2-{5-fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}-5-[(1E)-2-phenyldiazen-1-yl]pyrimidine-4,6-diamine

Inventory

CAS number:
1350653-29-0
Synonyms
Names:
2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-[(E)-phenyldiazenyl]pyrimidine-4,6-diamine

Molecular and structural information

Molecular formula:
C23 H17 F2 N9
Molecular weight:
> 457 - < 457.5
SMILES notation:
Nc1nc(nc(N)c1\N=N\c2ccccc2)c3nn(Cc4ccccc4F)c5ncc(F)cc35
InChl:
InChI=1S/C23H17F2N9/c24-14-10-16-18(33-34(23(16)28-11-14)12-13-6-4-5-9-17(13)25)22-29-20(26)19(21(27)30-22)32-31-15-7-2-1-3-8-15/h1-11H,12H2,(H4,26,27,29,30)/b32-31+
Structural formula:
Chemical structure

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