A1AM7
Summary
| Name: | 3-(2-hydroxyethyl)pyrimidin-4(3H)-one |
| Formula: | C6 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 140.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-hydroxyethyl)pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-(2-hydroxyethyl)pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCN1C=NC=CC1=O |
| InChI | InChI | 1.06 | InChI=1S/C6H8N2O2/c9-4-3-8-5-7-2-1-6(8)10/h1-2,5,9H,3-4H2 |
| InChIKey | InChI | 1.06 | HFZYCRPBIIVEAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN1C=NC=CC1=O |
| SMILES | CACTVS | 3.385 | OCCN1C=NC=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN=CN(C1=O)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN=CN(C1=O)CCO |
