VE1
Summary
| Name: | 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine |
| Formula: | C15 H13 Cl F N5 |
| Formal charge: | 0 |
| Formula weight: | 317.749 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H13ClFN5/c1-22-8-10(5-9-3-2-4-11(17)6-9)14(21-22)12-7-13(16)20-15(18)19-12/h2-4,6-8H,5H2,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.06 | NVFOMYRKSZVYGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Cc2cccc(F)c2)c(n1)c3cc(Cl)nc(N)n3 |
| SMILES | CACTVS | 3.385 | Cn1cc(Cc2cccc(F)c2)c(n1)c3cc(Cl)nc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccc(c3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccc(c3)F |
