S1Z
Summary
| Name: | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol |
| Formula: | C17 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 322.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | ZGMMFRHRGWCVND-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3 |
| SMILES | CACTVS | 3.385 | CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4 |
