A1H5Q
Summary
| Name: | 6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)-1,2,3-triazol-4-yl]ethylamino]methyl]-4H-1,4-benzothiazin-3-one |
| Formula: | C22 H21 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 447.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)-1,2,3-triazol-4-yl]ethylamino]methyl]-4~{H}-1,4-benzothiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H21N7O2S/c1-31-21-5-3-16-22(26-21)18(7-9-24-16)29-12-15(27-28-29)6-8-23-11-14-2-4-19-17(10-14)25-20(30)13-32-19/h2-5,7,9-10,12,23H,6,8,11,13H2,1H3,(H,25,30) |
| InChIKey | InChI | 1.06 | IFTKOVLUZDBNBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nccc(n3cc(CCNCc4ccc5SCC(=O)Nc5c4)nn3)c2n1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nccc(n3cc(CCNCc4ccc5SCC(=O)Nc5c4)nn3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(n1)c(ccn2)n3cc(nn3)CCNCc4ccc5c(c4)NC(=O)CS5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(n1)c(ccn2)n3cc(nn3)CCNCc4ccc5c(c4)NC(=O)CS5 |
