| PDB CCD ID: | OYG |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C9 H10 N2 O3 |
| InChI: | InChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+ |
| InChIKey: | BUVNCCASAGRUIE-ONEGZZNKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)/C=C/C1=C(C)NC(=O)NC1=O | | ACDLabs 12.01 | N1C(NC(C([C@H]=[C@H]C(C)=O)=C1C)=O)=O | | OpenEye OEToolkits 2.0.7 | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C | | OpenEye OEToolkits 2.0.7 | CC1=C(C(=O)NC(=O)N1)C=CC(=O)C | | CACTVS 3.385 | CC(=O)C=CC1=C(C)NC(=O)NC1=O |
|
| Name: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione |
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