IWM

9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine

Created:	2023-08-03
Last modified:	2023-12-06

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1 entries where IWM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of IWM

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Chemical Component Summary
Name	9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine
Systematic Name (OpenEye OEToolkits)	9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine
Formula	C₁₄ H₁₂ Cl F₂ N₅
Molecular Weight	323.728
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12
SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3C(F)F
Canonical SMILES	CACTVS	3.385	CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3C(F)F
InChI	InChI	1.06	InChI=1S/C14H12ClF2N5/c1-18-12-10-13(21-14(15)20-12)22(7-19-10)6-8-4-2-3-5-9(8)11(16)17/h2-5,7,11H,6H2,1H3,(H,18,20,21)
InChIKey	InChI	1.06	UPDPTTNKFIABQT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169449351

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