A1H9S
Summary
| Name: | 5-(2-phenylethylamino)-1H-pyrimidine-2,4-dione |
| Formula: | C12 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 231.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(2-phenylethylamino)-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3O2/c16-11-10(8-14-12(17)15-11)13-7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,14,15,16,17) |
| InChIKey | InChI | 1.06 | YTAWLGVMCALKQG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(NCCc2ccccc2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(NCCc2ccccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC2=CNC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC2=CNC(=O)NC2=O |
