A1JKQ
Summary
| Name: | 1-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanone |
| Synonyms: | (6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE |
| Formula: | C10 H7 F2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 223.179 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2 |
| InChIKey | InChI | 1.06 | XCHRPVARHBCFMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(c(F)c1)C(=O)Cn2cncn2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(c(F)c1)C(=O)Cn2cncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)C(=O)Cn2cncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)C(=O)Cn2cncn2 |
