7G9

~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide

Created:	2016-10-19
Last modified:	2024-09-27

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2 entries where 7G9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	18

2D diagram of 7G9

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Chemical Component Summary
Name	~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
Formula	C₂₂ H₂₄ F N₅ O₃
Molecular Weight	425.456
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F
InChI	InChI	1.03	InChI=1S/C22H24FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKey	InChI	1.03	PGJVJMYAHWTULI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126653761

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