OYG
Summary
| Name: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C9 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 194.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-5-[(~{E})-3-oxidanylidenebut-1-enyl]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1C(NC(C([C@H]=[C@H]C(C)=O)=C1C)=O)=O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | BUVNCCASAGRUIE-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)/C=C/C1=C(C)NC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC(=O)C=CC1=C(C)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)NC(=O)N1)C=CC(=O)C |
