IY5
Summary
| Name: | 8-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE |
| Formula: | C15 H9 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 306.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 8-oxidanyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22) |
| InChIKey | InChI | 1.03 | ZZCRCAHSCCNAPB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F |
