M0R
Summary
| Name: | 19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine |
| Formula: | C21 H22 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 431.869 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 19-chloro-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)OCCOCCOCCOc2cc1 |
| InChI | InChI | 1.03 | InChI=1S/C21H22ClN3O5/c1-26-19-12-16-15-11-20(19)30-9-7-28-5-4-27-6-8-29-18-3-2-14(22)10-17(18)25-21(15)24-13-23-16/h2-3,10-13H,4-9H2,1H3,(H,23,24,25) |
| InChIKey | InChI | 1.03 | OPYKRPJXSJBBEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOCCOc1cc23 |
| SMILES | CACTVS | 3.385 | COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOCCOc1cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c3cc1OCCOCCOCCOc4ccc(cc4Nc3ncn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c3cc1OCCOCCOCCOc4ccc(cc4Nc3ncn2)Cl |
