6IL

~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide

Created:2023-02-09
Last modified:  2024-11-13

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count57
Aromatic Bond Count20
2D diagram of 6IL

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Chemical Component Summary

Name~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide
FormulaC23 H20 F N5 O S2
Molecular Weight465.566
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6
SMILESOpenEye OEToolkits2.0.7c1c2c(ncnc2sc1C3=CCC(CC3)NC(=O)C4CC4)Nc5cc6c(cc5F)scn6
Canonical SMILESCACTVS3.385 Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[C@@H](CC5)NC(=O)C6CC6
Canonical SMILESOpenEye OEToolkits2.0.7 c1c2c(ncnc2sc1C3=CC[C@@H](CC3)NC(=O)C4CC4)Nc5cc6c(cc5F)scn6
InChIInChI1.06 InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1
InChIKeyInChI1.06 HBUARMMKBQMRBE-AWEZNQCLSA-N

Related Resource References

Resource NameReference
PubChem 172419914