M4B
Summary
| Name: | 6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one |
| Formula: | C11 H9 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 231.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15) |
| InChIKey | InChI | 1.03 | BMHIIRNFKJMVNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-] |
