Q7H
Summary
| Name: | 11,15-Dimethyl-6-(oxan-4-yloxy)-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: | C25 H30 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 478.544 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/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | HPBBITAJZLZSRK-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[C@H]5CCOC=C5 |
| SMILES | CACTVS | 3.385 | CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCN(C(=O)COc2cc(ccc2OC3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C |
