A1LZT
Summary
| Name: | 4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid |
| Formula: | C22 H24 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 408.45 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H24N4O4/c1-2-18-19(20(23)26-22(24)25-18)30-13-3-12-29-17-10-8-15(9-11-17)14-4-6-16(7-5-14)21(27)28/h4-11H,2-3,12-13H2,1H3,(H,27,28)(H4,23,24,25,26) |
| InChIKey | InChI | 1.06 | ORJSMNCGGWKWPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCOc2ccc(cc2)c3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCOc2ccc(cc2)c3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCOc2ccc(cc2)c3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCOc2ccc(cc2)c3ccc(cc3)C(=O)O |
