A1AKJ
Summary
| Name: | 6-hydroxy-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
| Formula: | C11 H7 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 261.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-hydroxy-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
| OpenEye OEToolkits | 2.0.7 | 6-oxidanyl-2-phenyl-4~{H}-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2sc(nc2NC(=O)N1O)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H7N3O3S/c15-10-7-8(13-11(16)14(10)17)12-9(18-7)6-4-2-1-3-5-6/h1-5,17H,(H,13,16) |
| InChIKey | InChI | 1.06 | YJJAOPVQZWSUDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)Nc2nc(sc2C1=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | ON1C(=O)Nc2nc(sc2C1=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3c(s2)C(=O)N(C(=O)N3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3c(s2)C(=O)N(C(=O)N3)O |
