8TM
Summary
| Name: | N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE |
| Formula: | C15 H10 F3 N3 S |
| Formal charge: | 0 |
| Formula weight: | 321.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10F3N3S/c16-15(17,18)22-11-7-5-10(6-8-11)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H,(H,19,20,21) |
| InChIKey | InChI | 1.03 | PZIHZHOJKADIKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F |
