BAU
Summary
| Name: | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE |
| Formula: | C14 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 276.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-benzyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 1-(2-hydroxyethoxymethyl)-5-(phenylmethyl)pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19) |
| InChIKey | InChI | 1.03 | SPJAGILXQBHHSZ-UHFFFAOYSA-N |
