A1H9X
Summary
| Name: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione |
| Synonyms: | 5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione |
| Formula: | C11 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 217.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16) |
| InChIKey | InChI | 1.06 | PBRBBWKUUQNONR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(NCc2ccccc2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(NCc2ccccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC2=CNC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC2=CNC(=O)NC2=O |
