UUQ
Summary
| Name: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
| Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
| Formula: | C23 H14 F3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 437.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31) |
| InChIKey | InChI | 1.03 | JBKRLZPXWNTYBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N |
| SMILES | CACTVS | 3.385 | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1Oc2cc(c3ccccc3c2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1Oc2cc(c3ccccc3c2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F |
