| PDB CCD ID: | NY2 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C9 H5 Br N6 O3 |
| InChI: | InChI=1S/C9H5BrN6O3/c10-6-8-11-1-4(3-15(8)14-9(6)17)7-5(16(18)19)2-12-13-7/h1-3H,(H,12,13)(H,14,17) |
| InChIKey: | GPUSMPJXAIFKFV-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=[N+](c1c(nnc1)C2=CN3C(N=C2)=C(Br)C(=O)N3)[O-] | | CACTVS 3.385 | [O-][N+](=O)c1c[nH]nc1C2=CN3NC(=O)C(=C3N=C2)Br | | OpenEye OEToolkits 2.0.6 | c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-] |
|
| Name: | 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one |
| ZINC: | ZINC000004343613 |
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