GXI
Summary
| Name: | 2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine |
| Formula: | C16 H13 Cl F N3 O |
| Formal charge: | 0 |
| Formula weight: | 317.745 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-7-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(18)9-14(13)19-16(17)20-15/h3-9H,1-2H3 |
| InChIKey | InChI | 1.03 | YDRSHVVNDQRNJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)OC)c2c3ccc(cc3nc(n2)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)OC)c2c3ccc(cc3nc(n2)Cl)F |
