KOX
Summary
| Name: | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one |
| Formula: | C11 H9 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 252.72 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9ClN2OS/c12-9-4-2-1-3-8(9)7-16-10-5-6-13-11(15)14-10/h1-4,6H,5,7H2 |
| InChIKey | InChI | 1.06 | QZJFKUCKQQRGHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1CSC2=NC(=O)N=CC2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1CSC2=NC(=O)N=CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CSC2=NC(=O)N=CC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CSC2=NC(=O)N=CC2)Cl |
