43J
Summary
| Name: | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one |
| Formula: | C17 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | 3-methyl-5-oxidanyl-2-(3-phenylphenyl)pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3C(O)=CN=C(c2cccc(c1ccccc1)c2)N3C |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2/c1-19-16(18-11-15(20)17(19)21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,20H,1H3 |
| InChIKey | InChI | 1.03 | XFQLJHLLJPLAPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C(=CN=C1c2cccc(c2)c3ccccc3)O |
| SMILES | CACTVS | 3.385 | CN1C(=O)C(=CN=C1c2cccc(c2)c3ccccc3)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3 |
