A1I4B
Summary
| Name: | 2-[3-(1,3-benzothiazol-2-ylamino)-4-methyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl]-1,3-thiazole-4-carboxylic acid |
| Synonyms: | 2-{3-[(1,3-benzothiazol-2-yl)amino]-4-methyl-5H,6H,7H,8H-pyrido[2,3-c]pyridazin-8-yl}-1,3-thiazole-4-carboxylic acid |
| Formula: | C19 H16 N6 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 424.499 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[3-(1,3-benzothiazol-2-ylamino)-4-methyl-6,7-dihydro-5~{H}-pyrido[2,3-c]pyridazin-8-yl]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H16N6O2S2/c1-10-11-5-4-8-25(19-21-13(9-28-19)17(26)27)16(11)24-23-15(10)22-18-20-12-6-2-3-7-14(12)29-18/h2-3,6-7,9H,4-5,8H2,1H3,(H,26,27)(H,20,22,23) |
| InChIKey | InChI | 1.06 | WDXTWXOCHZITFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c2CCCN(c3scc(n3)C(O)=O)c2nnc1Nc4sc5ccccc5n4 |
| SMILES | CACTVS | 3.385 | Cc1c2CCCN(c3scc(n3)C(O)=O)c2nnc1Nc4sc5ccccc5n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(nnc1Nc3nc4ccccc4s3)N(CCC2)c5nc(cs5)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(nnc1Nc3nc4ccccc4s3)N(CCC2)c5nc(cs5)C(=O)O |
