| PDB CCD ID: | AWA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H12 N2 O4 |
| InChI: | InChI=1S/C12H12N2O4/c1-18-8-4-2-7(3-5-8)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)/t9-/m1/s1 |
| InChIKey: | MTFBEIOPWWFNND-SECBINFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ccc(cc1)[CH]2CC(=NC(=O)N2)C(O)=O | | CACTVS 3.385 | COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(O)=O | | OpenEye OEToolkits 2.0.6 | COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O | | OpenEye OEToolkits 2.0.6 | COc1ccc(cc1)C2CC(=NC(=O)N2)C(=O)O |
|
| Name: | (6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid |
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