V05
Summary
| Name: | 3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide |
| Formula: | C13 H9 F2 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 333.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9F2N7O2/c14-9-4-7(13(23)20-24)5-10(15)8(9)6-22-19-12(18-21-22)11-16-2-1-3-17-11/h1-5,24H,6H2,(H,20,23) |
| InChIKey | InChI | 1.03 | IAJVLFQKWJCAML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cc(F)c(Cn2nnc(n2)c3ncccn3)c(F)c1 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1cc(F)c(Cn2nnc(n2)c3ncccn3)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F |
