QRD
Summary
| Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
| Formula: | C19 H19 Cl F3 N5 O |
| Formal charge: | 0 |
| Formula weight: | 425.835 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19ClF3N5O/c1-25-18-26-10-11-8-14(13-9-12(19(21,22)23)4-5-15(13)20)17(29)28(16(11)27-18)7-3-2-6-24/h4-5,8-10H,2-3,6-7,24H2,1H3,(H,25,26,27) |
| InChIKey | InChI | 1.06 | HWGFCLUXIWWFKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(ccc3Cl)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(ccc3Cl)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNc1ncc2c(n1)N(C(=O)C(=C2)c3cc(ccc3Cl)C(F)(F)F)CCCCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1ncc2c(n1)N(C(=O)C(=C2)c3cc(ccc3Cl)C(F)(F)F)CCCCN |
