K3P
Summary
| Name: | 5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine |
| Formula: | C8 H7 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 210.62 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-4-(1-methylpyrazol-4-yl)oxy-pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(cnc1)Cl)Oc2cnn(C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | JGBBXYYBQPDVEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Oc2ncncc2Cl)cn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(Oc2ncncc2Cl)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)Oc2c(cncn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)Oc2c(cncn2)Cl |
