| PDB CCD ID: | W76 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C14 H14 N2 O5 |
| InChI: | InChI=1S/C14H14N2O5/c1-21-9-4-2-3-8(7-9)5-6-10-11(13(18)19)15-14(20)16-12(10)17/h2-4,7H,5-6H2,1H3,(H,18,19)(H2,15,16,17,20) |
| InChIKey: | OLFHVSKJWZJMKR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COc1cccc(CCC2=C(NC(=O)NC2=O)C(O)=O)c1 | | ACDLabs 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(OC)c2 | | OpenEye OEToolkits 1.7.6 | COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O |
|
| Name: | 5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| ChEMBL: | CHEMBL3990766 |
| ZINC: | ZINC000098209552 |
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