4WF
Summary
| Name: | 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione |
| Formula: | C11 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 233.223 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-1-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.9.2 | 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(O)N(C(=O)N1)Cc2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17) |
| InChIKey | InChI | 1.03 | HTIBHRPLOZXHDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=C(O)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | NC1=C(O)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O |
