| PDB CCD ID: | U6Z |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C8 H6 N4 O5 |
| InChI: | InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+ |
| InChIKey: | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1CN(N=Cc2oc(cc2)[N](=O)=O)C(=O)N1 | | OpenEye OEToolkits 2.0.7 | c1cc(oc1C=NN2CC(=O)NC2=O)N(=O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O | | CACTVS 3.385 | O=C1CN(/N=C/c2oc(cc2)[N](=O)=O)C(=O)N1 |
|
| Name: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;
Nitrofurantoin |
| ChEMBL: | CHEMBL572 |
| DrugBank: | DB00698 |
| ZINC: | ZINC000003875368 |
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