96U
Summary
| Name: | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol |
| Formula: | C12 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-4-imidazol-1-yl-quinoline-6,8-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(O)cc(c2c1c(cc(n2)N)n3cncc3)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10N4O2/c13-11-5-9(16-2-1-14-6-16)8-3-7(17)4-10(18)12(8)15-11/h1-6,17-18H,(H2,13,15) |
| InChIKey | InChI | 1.03 | ORPCIQGKZXBLNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(n2ccnc2)c3cc(O)cc(O)c3n1 |
| SMILES | CACTVS | 3.385 | Nc1cc(n2ccnc2)c3cc(O)cc(O)c3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N |
