TC8
Summary
| Name: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one |
| Synonyms: | 3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one |
| Formula: | C15 H10 F2 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 304.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 3-(2,6-difluorophenyl)-2-methylsulfanyl-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc3cccc(F)c3N1C(=O)c2c(N=C1SC)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CSC1=Nc2ccccc2C(=O)N1c3c(F)cccc3F |
| SMILES | CACTVS | 3.341 | CSC1=Nc2ccccc2C(=O)N1c3c(F)cccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F |
| InChI | InChI | 1.03 | InChI=1S/C15H10F2N2OS/c1-21-15-18-12-8-3-2-5-9(12)14(20)19(15)13-10(16)6-4-7-11(13)17/h2-8H,1H3 |
| InChIKey | InChI | 1.03 | BFNBJSXMXXQLAW-UHFFFAOYSA-N |
