A1ELI
Summary
| Name: | 6-bromanyl-3-(1-methylpyrazol-4-yl)-5-[(3~{S})-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine |
| Formula: | C15 H18 Br N7 |
| Formal charge: | 0 |
| Formula weight: | 376.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-3-(1-methylpyrazol-4-yl)-5-[(3~{S})-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | GMIZZEXBPRLVIV-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[C@H]4CCCNC4 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[CH]4CCCNC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)C4CCCNC4 |
