07R
Summary
| Name: | 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea |
| Formula: | C16 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 326.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.2 | 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22) |
| InChIKey | InChI | 1.03 | GDVRVPIXWXOKQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(CNC(=O)Nc2scc(n2)c3ccncc3)c1 |
| SMILES | CACTVS | 3.370 | Oc1cccc(CNC(=O)Nc2scc(n2)c3ccncc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3 |
