ZW2
Summary
| Name: | 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C13 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 274.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.6 | 3-oxidanyl-6-(phenylmethyl)-1~{H}-thieno[2,3-d]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=O)N(C(=O)Nc2c1cc(s2)Cc3ccccc3)O |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O3S/c16-12-10-7-9(6-8-4-2-1-3-5-8)19-11(10)14-13(17)15(12)18/h1-5,7,18H,6H2,(H,14,17) |
| InChIKey | InChI | 1.03 | BATRIMGMBZXTOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)Nc2sc(Cc3ccccc3)cc2C1=O |
| SMILES | CACTVS | 3.385 | ON1C(=O)Nc2sc(Cc3ccccc3)cc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O |
