| PDB CCD ID: | RAV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H18 N2 O3 |
| InChI: | InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m0/s1 |
| InChIKey: | WEXRUCMBJFQVBZ-ZETCQYMHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CCC[CH](C)C1(CC)C(=O)NC(=O)NC1=O | | OpenEye OEToolkits 1.7.0 | CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC | | CACTVS 3.370 | CCC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O | | OpenEye OEToolkits 1.7.0 | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC | | ACDLabs 12.01 | O=C1NC(=O)NC(=O)C1(C(C)CCC)CC |
|
| Name: | 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione;
Pentobarbital |
| ZINC: | ZINC000013545636 |
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