UU8
Summary
| Name: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
| Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
| Formula: | C24 H16 F N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 477.464 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H16FN3O5S/c1-15-7-5-6-10-20(15)33-21-12-19(18(25)11-16(21)14-26)28-23(29)13-22(27-24(28)30)34(31,32)17-8-3-2-4-9-17/h2-13H,1H3,(H,27,30) |
| InChIKey | InChI | 1.03 | UEXYFUXKLNKXPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc2C#N |
| SMILES | CACTVS | 3.385 | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3=O)S(=O)(=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3=O)S(=O)(=O)c4ccccc4 |
