| PDB CCD ID: | 5ZT |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H17 Cl N4 O4 |
| InChI: | InChI=1S/C16H17ClN4O4/c17-12-7-11(2-1-10(12)9-22)20-3-5-21(6-4-20)15(24)13-8-14(23)19-16(25)18-13/h1-2,7,22H,3-6,8-9H2,(H,19,23,25) |
| InChIKey: | LOQJVSKMCQMDKR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(C=1CC(=O)NC(=O)N=1)N1CCN(CC1)c1ccc(CO)c(Cl)c1 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO | | CACTVS 3.385 | OCc1ccc(cc1Cl)N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3 |
|
| Name: | 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione |
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