Q7Q
Summary
| Name: | 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one |
| Formula: | C22 H28 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 440.496 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27) |
| InChIKey | InChI | 1.03 | MPVLMOBPNHBSRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34 |
| SMILES | CACTVS | 3.385 | COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC |
