55E
Summary
| Name: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one |
| Formula: | C17 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one |
| OpenEye OEToolkits | 1.5.0 | 4-(4-hydroxy-3-methyl-phenyl)-6-phenyl-5H-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N=C(c1ccccc1)CC(=N2)c3ccc(O)c(c3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 |
| SMILES | CACTVS | 3.341 | Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3 |
| InChIKey | InChI | 1.03 | AZXKZZMGLACNIJ-UHFFFAOYSA-N |
