A1IL2
Summary
| Name: | ~{N}-(3,4-dichlorophenyl)-1~{H}-pyrazolo[3,4-b]pyridin-4-amine |
| Formula: | C12 H8 Cl2 N4 |
| Formal charge: | 0 |
| Formula weight: | 279.125 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3,4-dichlorophenyl)-1~{H}-pyrazolo[3,4-b]pyridin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H8Cl2N4/c13-9-2-1-7(5-10(9)14)17-11-3-4-15-12-8(11)6-16-18-12/h1-6H,(H2,15,16,17,18) |
| InChIKey | InChI | 1.06 | QQYMLRIVSWKFOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Nc2ccnc3[nH]ncc23)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(Nc2ccnc3[nH]ncc23)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Nc2ccnc3c2cn[nH]3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Nc2ccnc3c2cn[nH]3)Cl)Cl |
