M1O

19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

Created:2022-03-11
Last modified:  2022-11-23

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count17
2D diagram of M1O

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Chemical Component Summary

Name19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Systematic Name (OpenEye OEToolkits)n/a
FormulaC21 H21 Cl F N3 O5
Molecular Weight449.86
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F
SMILESCACTVS3.385COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23
SMILESOpenEye OEToolkits2.0.7COc1cc2c3cc1OCCOCCOCCOc4cc(c(cc4Nc3ncn2)Cl)F
Canonical SMILESCACTVS3.385 COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cc2c3cc1OCCOCCOCCOc4cc(c(cc4Nc3ncn2)Cl)F
InChIInChI1.03 InChI=1S/C21H21ClFN3O5/c1-27-19-11-16-13-8-20(19)31-7-5-29-3-2-28-4-6-30-18-10-15(23)14(22)9-17(18)26-21(13)25-12-24-16/h8-12H,2-7H2,1H3,(H,24,25,26)
InChIKeyInChI1.03 HPMIGMHXZFMMPF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 165430656