| PDB CCD ID: | LRO |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C14 H14 N2 O4 |
| InChI: | InChI=1S/C14H14N2O4/c1-8-2-4-9(5-3-8)6-7-10-11(13(18)19)15-14(20)16-12(10)17/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20) |
| InChIKey: | BBNOPYKTLSUCSO-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O | | CACTVS 3.370 | Cc1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1 | | ACDLabs 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C |
|
| Name: | 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| ChEMBL: | CHEMBL3991051 |
| ZINC: | ZINC000095921127 |
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