A1AQS
Summary
| Name: | N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide |
| Formula: | C13 H12 N6 O S |
| Formal charge: | 0 |
| Formula weight: | 300.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(3-azanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)Nc1ccc(cc1)Sc1ccc2nnc(N)n2n1 |
| InChI | InChI | 1.06 | InChI=1S/C13H12N6OS/c1-8(20)15-9-2-4-10(5-3-9)21-12-7-6-11-16-17-13(14)19(11)18-12/h2-7H,1H3,(H2,14,17)(H,15,20) |
| InChIKey | InChI | 1.06 | DDVAGHQEXKJINC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(Sc2ccc3nnc(N)n3n2)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(Sc2ccc3nnc(N)n3n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)Sc2ccc3nnc(n3n2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)Sc2ccc3nnc(n3n2)N |
