Q0Z
Summary
| Name: | 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine |
| Formula: | C14 H11 Cl F N5 |
| Formal charge: | 0 |
| Formula weight: | 303.722 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClFN5/c15-12-13(18-8-19-14(12)17)10-5-20-21(7-10)6-9-2-1-3-11(16)4-9/h1-5,7-8H,6H2,(H2,17,18,19) |
| InChIKey | InChI | 1.03 | SAVYHHAWTAHFAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc(c1Cl)c2cnn(Cc3cccc(F)c3)c2 |
| SMILES | CACTVS | 3.385 | Nc1ncnc(c1Cl)c2cnn(Cc3cccc(F)c3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl |
