| PDB CCD ID: | A81 |
| Number of entries in BioLiP: | 20 |
| Chemical formula: | C15 H7 Br2 N9 O4 |
| InChI: | InChI=1S/C15H7Br2N9O4/c16-7-12-18-1-5(3-24(12)22-14(7)27)9-11(26(29)30)10(21-20-9)6-2-19-13-8(17)15(28)23-25(13)4-6/h1-4H,(H,20,21)(H,22,27)(H,23,28) |
| InChIKey: | ZXUYYFPIPVTPJS-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-] | | ACDLabs 12.01 | C2=NC1=C(C(NN1C=C2c5c([N+]([O-])=O)c(C=3C=NC=4N(C=3)NC(C=4Br)=O)nn5)=O)Br | | CACTVS 3.385 | [O-][N+](=O)c1c([nH]nc1C2=CN3NC(=O)C(=C3N=C2)Br)C4=CN5NC(=O)C(=C5N=C4)Br |
|
| Name: | 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one) |
| ZINC: | ZINC000003178361 |
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