7O3
Summary
| Name: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide |
| Formula: | C16 H12 Cl2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 363.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22) |
| InChIKey | InChI | 1.03 | GVQPPCNXPVHIRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O |
