A1IR3
Summary
| Name: | 6-cyclopropyl-3-phenyl-1~{H}-pyrimidine-2,4-dione |
| Formula: | C13 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-cyclopropyl-3-phenyl-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12N2O2/c16-12-8-11(9-6-7-9)14-13(17)15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,17) |
| InChIKey | InChI | 1.06 | YSTWXKANMCMRMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=CC(=O)N1c2ccccc2)C3CC3 |
| SMILES | CACTVS | 3.385 | O=C1NC(=CC(=O)N1c2ccccc2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2C(=O)C=C(NC2=O)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2C(=O)C=C(NC2=O)C3CC3 |
