8FR
Summary
| Name: | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine |
| Formula: | C17 H20 Cl N7 |
| Formal charge: | 0 |
| Formula weight: | 357.841 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-~{N}-(1-methylimidazol-4-yl)quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23) |
| InChIKey | InChI | 1.03 | FFRWUFYTZPMLTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N4CCC(N)CC4)c1 |
| SMILES | CACTVS | 3.385 | Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N4CCC(N)CC4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl |
