A1L9K
Summary
| Name: | 2-hexylsulfanyl-4-oxidanyl-1~{H}-pyrimidin-6-one |
| Formula: | C10 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-hexylsulfanyl-4-oxidanyl-1~{H}-pyrimidin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14) |
| InChIKey | InChI | 1.06 | UYXOAKRMLQKLQX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCSC1=NC(=CC(=O)N1)O |
| SMILES | CACTVS | 3.385 | CCCCCCSC1=NC(=CC(=O)N1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCSC1=NC(=CC(=O)N1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCSC1=NC(=CC(=O)N1)O |
