A1EQY
Summary
| Name: | 5-[6-chloranyl-5-(2-phenylethoxy)pyridazin-3-yl]-1~{H}-pyrimidine-2,4-dione |
| Formula: | C16 H13 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 344.752 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[6-chloranyl-5-(2-phenylethoxy)pyridazin-3-yl]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13ClN4O3/c17-14-13(24-7-6-10-4-2-1-3-5-10)8-12(20-21-14)11-9-18-16(23)19-15(11)22/h1-5,8-9H,6-7H2,(H2,18,19,22,23) |
| InChIKey | InChI | 1.06 | HVHFJPIEIYNMJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1nnc(cc1OCCc2ccccc2)C3=CNC(=O)NC3=O |
| SMILES | CACTVS | 3.385 | Clc1nnc(cc1OCCc2ccccc2)C3=CNC(=O)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCOc2cc(nnc2Cl)C3=CNC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCOc2cc(nnc2Cl)C3=CNC(=O)NC3=O |
