M1O
Summary
| Name: | 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 |
| Formula: | C21 H21 Cl F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 449.86 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F |
| InChI | InChI | 1.03 | 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) |
| InChIKey | InChI | 1.03 | HPMIGMHXZFMMPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23 |
| SMILES | CACTVS | 3.385 | COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c3cc1OCCOCCOCCOc4cc(c(cc4Nc3ncn2)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c3cc1OCCOCCOCCOc4cc(c(cc4Nc3ncn2)Cl)F |
