N18
Summary
| Name: | methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate |
| Formula: | C9 H11 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 241.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate |
| OpenEye OEToolkits | 2.0.7 | methyl 3-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonylamino]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CCC(OC)=O)C(C=1NC(=O)NC(C=1)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16) |
| InChIKey | InChI | 1.03 | OQKCUQQTEDLJJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.385 | COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 |
