A1ELB
Summary
| Name: | 4-[[7-azanyl-6-bromanyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-~{N}-oxidanyl-butanamide |
| Formula: | C14 H17 Br N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 409.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[7-azanyl-6-bromanyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-~{N}-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17BrN8O2/c1-22-7-8(5-18-22)9-6-19-23-12(16)11(15)13(20-14(9)23)17-4-2-3-10(24)21-25/h5-7,25H,2-4,16H2,1H3,(H,17,20)(H,21,24) |
| InChIKey | InChI | 1.06 | QKGYCILOWLVAEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2cnn3c(N)c(Br)c(NCCCC(=O)NO)nc23 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2cnn3c(N)c(Br)c(NCCCC(=O)NO)nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)NO |
