A1I35
Summary
| Name: | 2-[[6-(1,3-benzothiazol-2-ylamino)-4,5-dimethyl-pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid |
| Synonyms: | 2-({6-[(1,3-benzothiazol-2-yl)amino]-4,5-dimethylpyridazin-3-yl}amino)-1,3-thiazole-4-carboxylic acid |
| Formula: | C17 H14 N6 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 398.462 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[6-(1,3-benzothiazol-2-ylamino)-4,5-dimethyl-pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14N6O2S2/c1-8-9(2)14(21-17-18-10-5-3-4-6-12(10)27-17)23-22-13(8)20-16-19-11(7-26-16)15(24)25/h3-7H,1-2H3,(H,24,25)(H,18,21,23)(H,19,20,22) |
| InChIKey | InChI | 1.06 | OWFLQSAHAGPJLK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(C)c(Nc2sc3ccccc3n2)nnc1Nc4scc(n4)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(C)c(Nc2sc3ccccc3n2)nnc1Nc4scc(n4)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nnc1Nc2nc3ccccc3s2)Nc4nc(cs4)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nnc1Nc2nc3ccccc3s2)Nc4nc(cs4)C(=O)O)C |
