LWG
Summary
| Name: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Formula: | C10 H4 Cl2 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 271.123 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.6.1 | 6,9-dichloro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | Clc1ccc(Cl)c2c1sc3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.352 | Clc1ccc(Cl)c2c1sc3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H4Cl2N2OS/c11-4-1-2-5(12)8-6(4)7-9(16-8)10(15)14-3-13-7/h1-3H,(H,13,14,15) |
| InChIKey | InChI | 1.03 | DJUSDFVEBBYFFL-UHFFFAOYSA-N |
