181
Summary
| Name: | 1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE |
| Formula: | C13 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 294.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(2-hydroxyethoxy)methyl]-5-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 1-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C(Sc1ccccc1)=CN(C(=O)N2)COCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCOCN1C=C(Sc2ccccc2)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | OCCOCN1C=C(Sc2ccccc2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O4S/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18) |
| InChIKey | InChI | 1.03 | YWJXYUXIPSIOGG-UHFFFAOYSA-N |
