A1LZS
Summary
| Name: | 4-[4-[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxybutoxy]phenyl]benzoic acid |
| Formula: | C23 H26 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 422.477 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxybutoxy]phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H26N4O4/c1-2-19-20(21(24)27-23(25)26-19)31-14-4-3-13-30-18-11-9-16(10-12-18)15-5-7-17(8-6-15)22(28)29/h5-12H,2-4,13-14H2,1H3,(H,28,29)(H4,24,25,26,27) |
| InChIKey | InChI | 1.06 | BZWMZSPIVLREMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCCOc2ccc(cc2)c3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCCOc2ccc(cc2)c3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCCOc2ccc(cc2)c3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCCOc2ccc(cc2)c3ccc(cc3)C(=O)O |
