FE5
Summary
| Name: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
| Formula: | C15 H15 N7 O |
| Formal charge: | 0 |
| Formula weight: | 309.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) |
| InChIKey | InChI | 1.03 | GYLDXIAOMVERTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14 |
| SMILES | CACTVS | 3.385 | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N |
