8M9
Summary
| Name: | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
| Formula: | C14 H15 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 318.762 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15ClN6O/c1-7-4-17-10(8(2)11(7)22-3)6-21-13-9(5-18-21)12(15)19-14(16)20-13/h4-5H,6H2,1-3H3,(H2,16,19,20) |
| InChIKey | InChI | 1.03 | IKGRZHVFOMUXCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C |
| SMILES | CACTVS | 3.385 | COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl |
