WT3
Summary
| Name: | 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide |
| Formula: | C20 H20 F N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 429.468 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20FN5O3S/c1-29-18-10-13(6-7-17(18)21)16-12-23-20-25-14-4-2-5-15(11-14)30(27,28)24-9-3-8-22-19(16)26-20/h2,4-7,10-12,24H,3,8-9H2,1H3,(H2,22,23,25,26) |
| InChIKey | InChI | 1.06 | QPDPAWXTOAVKLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1F)c2cnc3Nc4cccc(c4)[S](=O)(=O)NCCCNc2n3 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1F)c2cnc3Nc4cccc(c4)[S](=O)(=O)NCCCNc2n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1F)c2cnc3nc2NCCCNS(=O)(=O)c4cccc(c4)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1F)c2cnc3nc2NCCCNS(=O)(=O)c4cccc(c4)N3 |
