A1L3Y
Summary
| Name: | ~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide |
| Formula: | C22 H32 N6 O7 |
| Formal charge: | 0 |
| Formula weight: | 492.525 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H32N6O7/c23-4-7-31-10-12-33-13-11-32-9-6-25-19(29)15-28-14-18-21(27-22(28)30)26-20-16(34-8-5-24)2-1-3-17(20)35-18/h1-3,14H,4-13,15,23-24H2,(H,25,29)(H,26,27,30) |
| InChIKey | InChI | 1.06 | IOPVLKFMUHLRKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCOCCOCCOCCNC(=O)CN1C=C2Oc3cccc(OCCN)c3NC2=NC1=O |
| SMILES | CACTVS | 3.385 | NCCOCCOCCOCCNC(=O)CN1C=C2Oc3cccc(OCCN)c3NC2=NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OCCN)NC3=NC(=O)N(C=C3O2)CC(=O)NCCOCCOCCOCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OCCN)NC3=NC(=O)N(C=C3O2)CC(=O)NCCOCCOCCOCCN |
