A1JED
Summary
| Name: | 2-methyl-9-oxidanyl-6-(phenylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione |
| Formula: | C15 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 285.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-9-oxidanyl-6-(phenylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15N3O3/c1-17-7-8-18-11(9-10-5-3-2-4-6-10)16-14(20)13(19)12(18)15(17)21/h2-6,19H,7-9H2,1H3 |
| InChIKey | InChI | 1.06 | RPOUCHBGKZYIOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3 |
