RC0
Summary
| Name: | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine |
| Formula: | C15 H13 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 334.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13Cl2N5/c1-9-7-10(2)22(21-9)15-18-8-13(17)14(20-15)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | ASQXYGAONBBSHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc(Cl)cc3)n2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc(Cl)cc3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C |
