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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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count57
Aromatic Bond Count18
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
FormulaC22 H24 F N5 O3
Molecular Weight425.456
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
SMILESOpenEye OEToolkits2.0.6CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F
Canonical SMILESCACTVS3.385 CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
Canonical SMILESOpenEye OEToolkits2.0.6 CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F
InChIInChI1.03 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)
InChIKeyInChI1.03 PGJVJMYAHWTULI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 126653761