A1IBJ
Summary
| Name: | ~{N}4-(5-chloranyl-6-methoxy-pyridin-3-yl)-1~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
| Formula: | C11 H10 Cl N7 O |
| Formal charge: | 0 |
| Formula weight: | 291.696 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-(5-chloranyl-6-methoxy-pyridin-3-yl)-1~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10ClN7O/c1-20-10-7(12)2-5(3-14-10)16-8-6-4-15-19-9(6)18-11(13)17-8/h2-4H,1H3,(H4,13,15,16,17,18,19) |
| InChIKey | InChI | 1.06 | LSTTVYOLIIXOOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(Nc2nc(N)nc3[nH]ncc23)cc1Cl |
| SMILES | CACTVS | 3.385 | COc1ncc(Nc2nc(N)nc3[nH]ncc23)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cn1)Nc2c3cn[nH]c3nc(n2)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cn1)Nc2c3cn[nH]c3nc(n2)N)Cl |
